smiles stringlengths 3 1.81k | smiles_hash stringlengths 64 64 | smiles_key stringlengths 3 1.81k | organism stringclasses 93
values | sequence stringlengths 44 7.1k | uniprot_id stringlengths 6 10 | value_type stringclasses 1
value | monomer_id int64 10 50.7M | ligand stringlengths 2 499 | ligand_id stringlengths 4 134 | target stringlengths 5 182 | doi stringlengths 16 16 ⌀ | pmid stringlengths 5 8 ⌀ | ligand_target_complex_pdbs stringlengths 4 3.99k ⌀ | pubchem_cid stringlengths 2 9 ⌀ | pubchem_sid stringlengths 7 9 ⌀ | chebi_id float64 2.18k 499k ⌀ | chembl_id stringlengths 7 36 ⌀ | kegg_id stringclasses 601
values | zinc_id stringclasses 162
values | pdbs listlengths 0 1.39k | unit stringclasses 1
value | log10_value float64 -10.33 3.54 | value float64 0 3.49k | uniprot_date timestamp[ns]date 1986-07-21 00:00:00 2022-05-25 00:00:00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CS(=O)(=O)CCCOc1cccc2c1ccn2-c1ccnc(N[C@H]2CC[C@H](C(=O)N3CCC(O)CC3)CC2)n1 | 10035ec7e9e89d8dd56d58493fdd9071750d769d957484500739e6a819c1966f | CS(=O)(=O)CCCOc1cccc2c1ccn2-c1ccnc(N[C@H]2CC[C@H](C(=O)N3CCC(O)CC3)CC2)n1 | Homo sapiens | MGDEKDSWKVKTLDEILQEKKRRKEQEEKAEIKRLKNSDDRDSKRDSLEEGELRDHCMEITIRNSPYRREDSMEDRGEEDDSLAIKPPQQMSRKEKVHHRKDEKRKEKWKHARVKEREHERRKRHREEQDKARREWERQKRREMAREHSRRERDRLEQLERKRERERKMREQQKEQREQKERERRAEERRKEREARREVSAHHRTMREDYSDKVKASHWSRSPPRPPRERFELGDGRKPGEARPAPAQKPAQLKEEKMEERDLLSDLQDISDSERKTSSAESSSAESGSGSEEEEEEEEEEEEEGSTSEESEEEEEEEEE... | Q9UQ88 | kd | 50,440,018 | CHEMBL2425628 | PUBCHEM:C58017084 | Cyclin-dependent kinase 11A | 10.7270/Q20003HK | 23352510 | null | 58017084 | 175452335 | null | CHEMBL2425628 | null | null | [
"9QL1",
"9QKZ",
"9QKT",
"9I9I"
] | millimolar (mM) | -2.619789 | 0.0024 | 2003-09-19T00:00:00 |
NS(=O)(=O)c1ccc(C(=O)NCCN(CC(=O)[O-])CC(=O)[O-])cc1 | b89c39585eaf0f71304c8555944aff0d41ffd0872ae272d9c9a8195adbf5a7d6 | NS(=O)(=O)c1ccc(C(=O)NCCN(CC(=O)O)CC(=O)O)cc1 | Homo sapiens | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF | P00915 | kd | 12,418 | copper(2+) ion 2-[(carboxylatomethyl)({2-[(4-sulfamoylphenyl)formamido]ethyl})amino]acetate | PUBCHEM:C91895869 | Carbonic anhydrase 1 | 10.7270/Q2RR1WGF | 16506782 | null | 91895869 | 46512885 | null | null | null | null | [
"9EP2",
"8RLO",
"8QUN",
"8QQ9",
"8QGV",
"8Q7G",
"8Q6L",
"8CDZ",
"8CDX",
"7ZL5",
"7QOB",
"7Q0D",
"7PLF",
"6Y00",
"6XZY",
"6XZX",
"6XZS",
"6XZO",
"6XZE",
"6SWM",
"6I0L",
"6I0J",
"6HWZ",
"6G3V",
"6FAG",
"6FAF",
"6F3B",
"6EX1",
"6EVR",
"5GMM",
"3W6I",
"3W6H"... | millimolar (mM) | -3.920819 | 0.00012 | 1986-07-21T00:00:00 |
NCCc1c[nH]c2ccccc12 | b194f85489b4c930d38ab0125dab881aaf07e5e99c8434bea625c39126d0617c | NCCc1c[nH]c2ccccc12 | Rattus norvegicus | MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQR... | P30994 | kd | 50,024,210 | 1H-indole-3-ethanamine | PUBCHEM:C1150 | 5-hydroxytryptamine receptor 2B | 10.7270/Q2902507 | 7086824 | null | 1150 | 103934501 | null | CHEMBL6640 | C00398 | null | [] | millimolar (mM) | -3.270001 | 0.000537 | 1993-07-01T00:00:00 |
Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)c4ccc(Br)cc4)cc23)c1 | 5d7c4d79a64f69041c1ec3c69467df81468869e40fccd83d1f2dde00a783a04f | Cc1cccc(Cc2[nH]nc3cc(O)c(C(=O)N(C)c4ccc(Br)cc4)cc23)c1 | Homo sapiens | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDW... | P07900 | kd | 50,455,687 | CHEMBL4215652 | PUBCHEM:C145972324 | Heat shock protein HSP 90-alpha/90-beta | 10.7270/Q2G163FN | 29701469 | null | 145972324 | 225146603 | null | null | null | null | [
"9KQN",
"9KOX",
"9KMR",
"7L7J",
"7L7I",
"7KW7",
"7KRJ",
"8FFW",
"8FFV",
"3Q6N",
"3Q6M",
"7RY1",
"7RXZ",
"7UR3",
"7LT0",
"7LSZ",
"9X71",
"9X6X",
"8JR6",
"8SBT",
"8AGI",
"6N8X",
"6GQR",
"6GQ6",
"6GPY",
"6GPW",
"6GPT",
"6GPR",
"6CYH",
"6CYG",
"6CEO",
"6B9A"... | millimolar (mM) | -3.809668 | 0.000155 | 1988-08-01T00:00:00 |
CN(C(=O)c1ccc(C2CCN(Cc3cc4c(-c5ccc(N)nc5)ccnc4n3C)CC2)cc1)c1ccc(C2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)CC2)cc1 | dbd9fc67dd0b5a676702f40c4cb5df5ed3effe636e1dba1219f8e76d9527bc84 | CN(C(=O)c1ccc(C2CCN(Cc3cc4c(-c5ccc(N)nc5)ccnc4n3C)CC2)cc1)c1ccc(C2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)CC2)cc1 | Homo sapiens | MSLWGLVSKMPPEKVQRLYVDFPQHLRHLLGDWLESQPWEFLVGSDAFCCNLASALLSDTVQHLQASVGEQGEGSTILQHISTLESIYQRDPLKLVATFRQILQGEKKAVMEQFRHLPMPFHWKQEELKFKTGLRRLQHRVGEIHLLREALQKGAEAGQVSLHSLIETPANGTGPSEALAMLLQETTGELEAAKALVLKRIQIWKRQQQLAGNGAPFEESLAPLQERCESLVDIYSQLQQEVGAAGGELEPKTRASLTGRLDEVLRTLVTSCFLVEKQPPQVLKTQTKFQAGVRFLLGLRFLGAPAKPPLVRADMVTEKQ... | P42226 | kd | 782,768 | US20250325677, Example 3p1 | PUBCHEM:C177300863 | Signal transducer and activator of transcription 6 | 10.7270/Q2TT4WRG | null | null | 177300863 | 523301113 | null | null | null | null | [
"4Y5W",
"4Y5U",
"9BIG",
"5D39",
"5NWX",
"5NWM"
] | millimolar (mM) | -4.943095 | 0.000011 | 1995-11-01T00:00:00 |
CC(=O)N(CC#CCN1CCCC1)Cc1ccccc1 | 2d84b26c0c4c0f6965a3bd379e46edf2a22a83f59209d55a49536ee2413a7494 | CC(=O)N(CC#CCN1CCCC1)Cc1ccccc1 | Homo sapiens | MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPV... | P08912 | kd | 50,230,010 | CHEMBL319665 | PUBCHEM:C15014570 | Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 | 10.7270/Q28G8NXX | 1732545 | null | 15014570 | 381616291 | null | CHEMBL319665 | null | null | [
"9EK0",
"9EJZ",
"6OL9"
] | millimolar (mM) | -2.229885 | 0.00589 | 1988-11-01T00:00:00 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12 | 8abe64e220d1d5bc7ac516435657a3aa24cd09216481a9ca4ba4d174ee47d0de | Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12 | null | MEVKRLKVTELRSELQRRGLDSRGLKVDLAQRLQEALDAEMLEDEAGGGGAGPGGACKAEPRPVAASGGGPGGDEEEDEEEEEEDEEALLEDEDEEPPPAQALGQAAQPPPEPPEAAAMEAAAEPDASEKPAEATAGSGGVNGGEEQGLGKREEDEPEERSGDETPGSEVPGDKAAEEQGDDQDSEKSKPAGSDGERRGVKRQRDEKDEHGRAYYEFREEAYHSRSKSPLPPEEEAKDEEEDQTLVNLDTYTSDLHFQVSKDRYGGQPLFSEKFPTLWSGARSTYGVTKGKVCFEAKVTQNLPMKEGCTEVSLLRVGWSV... | Q1KMD3 | kd | 50,652,793 | CHEMBL5653589 | PUBCHEM:C117602383 | Heterogeneous nuclear ribonucleoprotein U-like protein 2 | 10.7270/Q22N5711 | 29928781 | null | 117602383 | 519645063 | null | null | null | null | [] | millimolar (mM) | -3.756962 | 0.000175 | 2007-02-20T00:00:00 |
COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12 | af7ca8338d026ced5d40aba686476c4e98a5b1a08b69bb732ce5f1945a8ed034 | COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12 | Homo sapiens | MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCWCQAWTEEPRALCSSLRMNGDQNSDVYAQEKQDFVQHFSQIVRVLTEDEMGHPEIGDAIARLKEVLEYNAIGGKYNRGLTVVVAFRELVEPRKQDADSLQRAWTVGWCVELLQAFFLVADDIMDSSLTRRGQICWYQKPGVGLDAINDANLLEACIYRLLKLYCREQPYYLNLIELFLQSSYQTEIGQTLDLLTAPQGNVDLVRFTEKRYKSIVKYKTAFYSFYLPIAAAMYMAGIDGEKEHANAKKILLEMGEFFQIQDDYLDLFGDPSV... | P14324 | kd | 50,531,179 | Methyl Carnosate | PUBCHEM:C11336941 | Farnesyl pyrophosphate synthase | 10.7270/Q2Z03CNH | 31725297 | null | 11336941 | 440739761 | null | null | null | null | [
"9CZ5",
"9CZ4",
"9CYZ",
"9CY2",
"6OAH",
"6OAG",
"6N83",
"6N82",
"6N7Z",
"6N7Y",
"5KSX",
"5JV2",
"5JV1",
"5JV0",
"5JUZ",
"5JA0",
"4XQT",
"4XQS",
"4XQR",
"4QXS",
"4QPF",
"4PVY",
"4PVX",
"4NFK",
"4NFJ",
"4NFI",
"4LPH",
"4LPG",
"4LFV",
"4L2X",
"4JVJ",
"4H5E"... | millimolar (mM) | -3.443697 | 0.00036 | 1990-01-01T00:00:00 |
COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1 | 75b028d31683995c51e53eb6e63f7dd260e4de968170930e2eeb22374b6c8e0e | COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1 | Homo sapiens | MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPA... | P53779 | kd | 329,334 | (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]-amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide | PUBCHEM:C71599640 | Mitogen-activated protein kinase 10 | 10.7270/Q2BP07JP | 26832791 | null | 71599640 | 384574244 | null | null | null | null | [
"8VTF",
"8VS0",
"8VO4",
"8VNX",
"8ENJ",
"7YL1",
"7S1N",
"7KSK",
"7KSJ",
"7KSI",
"3TTJ",
"3TTI",
"1JNK",
"4WHZ",
"8WGF",
"8BZP",
"4Y5H",
"4Y46",
"4W4Y",
"4W4X",
"4W4W",
"4W4V",
"4U79",
"3V6S",
"3V6R",
"3KVX",
"3FI3",
"3DA6",
"2ZDU",
"2ZDT",
"2WAJ",
"2O2U"... | millimolar (mM) | -4.017729 | 0.000096 | 1996-10-01T00:00:00 |
CC1(C)CCNc2ccc(C#Cc3ccc(C(=O)O)cc3)cc21 | 441bc87f5fd3b44f93a0eda4185de7edad6bea809bc68c039886501f3ddb816d | CC1(C)CCNc2ccc(C#Cc3ccc(C(=O)O)cc3)cc21 | Homo sapiens | MTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPPSGCSTPSPATIETQSTSSEELVPSPPSPLPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMIYTCHRDKNCVINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKETSKQECTESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLE... | P10826 | kd | 50,290,177 | 4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylethynyl)-benzoic acid | PUBCHEM:C44316277 | Retinoic acid receptor beta | 10.7270/Q2K35TN8 | null | null | 44316277 | 104131729 | null | CHEMBL80820 | null | null | [
"4DM8",
"4DM6",
"1XAP",
"5K13",
"1EXX",
"1EXA",
"4LBD",
"3LBD",
"2LBD",
"1HRA"
] | millimolar (mM) | -3.146302 | 0.000714 | 1989-07-01T00:00:00 |
CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 5b66f56e6a739b014f91aa39567be21bf45905dc6aed4e1114751f9de594094c | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | Homo sapiens | MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSG... | P07550 | kd | 206,778 | (S,S)-6 | PUBCHEM:C16735276 | Beta-2 adrenergic receptor | 10.7270/Q2CJ8CBM | null | null | 16735276 | 322057389 | null | null | null | null | [
"2R4R",
"6E67"
] | millimolar (mM) | -1.250001 | 0.056234 | 1988-04-01T00:00:00 |
COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(CN)cc2)oc1C | 18db3c3a4ce0c09ab5cdab8edbc20d6230c51e0938a443d2cef32fecf04bae94 | COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(CN)cc2)oc1C | Homo sapiens | MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE | Q13526 | kd | 50,305,679 | (R)-methyl 2-(5-(4-(aminomethyl)phenyl)-2-methylfuran-3-carboxamido)-3-(1H-benzo[d]imidazol-2-yl)propanoate | PUBCHEM:C46227805 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 10.7270/Q2QJ7HDW | 19969456 | null | 46227805 | 104160040 | null | CHEMBL595291 | null | null | [
"8SG2",
"7SUR",
"7SUQ",
"7SA5",
"1PIN",
"1NMV",
"8W11",
"8VZ5",
"8VZ3",
"1F8A",
"6O33",
"6VAJ",
"3KAF",
"3KAD",
"2XP6",
"2F21",
"1NMW",
"2RUC",
"9INN",
"2M8I",
"1I8H",
"1I8G",
"1I6C",
"2LB3",
"4GWV",
"4GWT",
"2KCF",
"5VTK",
"5VTJ",
"2N1O",
"5VTI",
"5B3Y"... | millimolar (mM) | -3.275724 | 0.00053 | 1998-07-15T00:00:00 |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(F)c1F | a9f3e9209cbbadf287297c6f6e4e6ab0dde347b670635f37e35eb265976197ae | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(F)c1F | Homo sapiens | MDGEEKTYGGCEGPDAMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC | Q15369 | kd | 50,628,950 | CHEMBL5410571 | PUBCHEM:C172454625 | Elongin-C | 10.7270/Q29Z99BP | 37708384 | null | 172454625 | 505046922 | null | null | null | null | [
"9D8P",
"8R5H",
"8Q7R",
"8PQL",
"8OL1",
"8OKX",
"8OF0",
"8OEW",
"8OEV",
"8JAL",
"8G1P",
"8CX2",
"8CX1",
"8CX0",
"8C13",
"7SHL",
"7SHK",
"7PLO",
"6R7N",
"6R7H",
"6R7F",
"6P59",
"1VCB",
"8QU8",
"8BB5",
"8BB4",
"8BB3",
"8BB2",
"8RWZ",
"8FY0",
"8JE2",
"8JE1"... | millimolar (mM) | -2.838632 | 0.00145 | 2003-07-11T00:00:00 |
CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4ccccc43)c3ccccc3)cc2)CC1 | cc1c6d9745c567a6c2a6b75595f7631f399b40cbc1edeab08b52e3f1962096c3 | CN1CCN(CC(=O)N(C)c2ccc(N=C(c3ccccc3)c3c(O)[nH]c4ccccc34)cc2)CC1 | Homo sapiens | MAEPLKEEDGEDGSAEPPGPVKAEPAHTAASVAAKNLALLKARSFDVTFDVGDEYEIIETIGNGAYGVVSSARRRLTGQQVAIKKIPNAFDVVTNAKRTLRELKILKHFKHDNIIAIKDILRPTVPYGEFKSVYVVLDLMESDLHQIIHSSQPLTLEHVRYFLYQLLRGLKYMHSAQVIHRDLKPSNLLVNENCELKIGDFGMARGLCTSPAEHQYFMTEYVATRWYRAPELMLSLHEYTQAIDLWSVGCIFGEMLARRQLFPGKNYVHQLQLIMMVLGTPSPAVIQAVGAERVRAYIQSLPPRQPVPWETVYPGADRQA... | Q13164 | kd | 50,248,946 | CHEMBL1908392 | PUBCHEM:C136242661 | Mitogen-activated protein kinase 7 | 10.7270/Q25D8S70 | 22037378 | null | 136242661 | 104103407 | null | null | null | null | [
"4IC8",
"4IC7",
"4B99",
"7PUS",
"5O7I",
"5BYZ",
"4ZSG",
"6HKM",
"5BYY",
"4ZSJ",
"4ZSL",
"6HKN"
] | millimolar (mM) | -2.60206 | 0.0025 | 1997-11-01T00:00:00 |
CNC(=O)c1ccc2c(c1)nc(-c1cc(OC)ncc1F)n2-c1ccc2c(c1)CCC(=O)N2 | 7f54af184dc68d90171f1e64de5193aff2877783913afa17a128a1078c770b9b | CNC(=O)c1ccc2c(c1)nc(-c1cc(OC)ncc1F)n2-c1ccc2c(c1)CCC(=O)N2 | Human | MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS... | Q96SW2 | kd | 562,151 | 2-(5-Fluoro-2-methoxy-4-pyridyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide | PUBCHEM:C137526850 | Protein cereblon | 10.7270/Q26976S1 | null | null | 137526850 | 472623722 | null | null | null | null | [
"4TZ4",
"5HXB",
"5V3O",
"6UML",
"6XK9",
"7LPS",
"7U8F",
"8CVP",
"8D7U",
"8D7V",
"8D7W",
"8D7X",
"8D7Y",
"8D7Z",
"8D80",
"8D81",
"8DEY",
"8OIZ",
"8OJH"
] | millimolar (mM) | -5 | 0.00001 | 2005-08-30T00:00:00 |
CN1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(C)(C)C(O)C1(C)C | f22d8e298c5823dd09148971290219751ad326358846dddfa0f93701f3d4e9fb | CN1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(C)(C)C(O)C1(C)C | Homo sapiens | MISASRAAAARLVGAAASRGPTAARHQDSWNGLSHEAFRLVSRRDYASEAIKGAVVGIDLGTTNSCVAVMEGKQAKVLENAEGARTTPSVVAFTADGERLVGMPAKRQAVTNPNNTFYATKRLIGRRYDDPEVQKDIKNVPFKIVRASNGDAWVEAHGKLYSPSQIGAFVLMKMKETAENYLGHTAKNAVITVPAYFNDSQRQATKDAGQISGLNVLRVINEPTAAALAYGLDKSEDKVIAVYDLGGGTFDISILEIQKGVFEVKSTNGDTFLGGEDFDQALLRHIVKEFKRETGVDLTKDNMALQRVREAAEKAKCELS... | P38646 | kd | 50,539,117 | CHEMBL4648396 | PUBCHEM:C146403627 | Stress-70 protein, mitochondrial | 10.7270/Q2WD443B | 31831296 | null | 146403627 | 442140680 | null | null | null | null | [
"6PMT",
"6P2U",
"4KBO",
"6NHK"
] | millimolar (mM) | -3.154902 | 0.0007 | 1995-02-01T00:00:00 |
CN(C)S(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1F | a079332840420e609a8f5806de51cd846a0aff244198cb1b2de25e907511e6f5 | CN(C)S(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1F | Homo sapiens | MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNV... | P41240 | kd | 680,882 | US20240197735, Example AR-30 | PUBCHEM:C171991065 | Tyrosine-protein kinase CSK | 10.7270/Q2NZ8CZ9 | null | null | 171991065 | 500596386 | null | null | null | null | [
"3D7U",
"3EAC"
] | millimolar (mM) | -2.09653 | 0.008007 | 1995-02-01T00:00:00 |
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCCOCCCCOc3cccc2c3)cc1OC | 671b6477e971784c23edeb89004df9a0b719c311349a1536cd3e9e3c07257c45 | COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCCOCCCCOc3cccc2c3)cc1OC | Homo sapiens | MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE | P62942 | kd | 50,575,661 | CHEMBL4853042 | PUBCHEM:C164617421 | Peptidyl-prolyl cis-trans isomerase FKBP1A | 10.7270/Q2988BT3 | 33666419 | null | 164617421 | 471051784 | null | null | null | null | [
"9DU1",
"9DTW",
"9DCW",
"9CO5",
"8POD",
"6I1S",
"3MDY",
"3H9R",
"9WH6",
"9WH5",
"9WH2",
"9WH0",
"9W8P",
"9W8O",
"9W8N",
"9W8M",
"9W8L",
"9W8K",
"9W8I",
"9W8H",
"9E1I",
"9E1H",
"9E1G",
"9E1F",
"9E1E",
"9E1D",
"9E1C",
"9E1B",
"9E1A",
"9E19",
"9E18",
"9E17"... | millimolar (mM) | -3.315155 | 0.000484 | 2004-08-31T00:00:00 |
NC(CO)C(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1 | 41bbe72957342ed4b67d66da21603876315ffb9ede2669c401079994cd00295c | NC(C=O)C(O)[C@@H](N)C(=O)NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1 | Homo sapiens | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK | P00918 | kd | 50,031,452 | (R)-3-Amino-4-hydroxy-2-oxo-1-(2-{2-[2-(4-sulfamoyl-benzoylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-butyl-ammonium | PUBCHEM:C44313201 | Carbonic anhydrase 2 | 10.7270/Q2125T9G | 7608893 | null | 44313201 | 103940093 | null | null | null | null | [
"8ZWV",
"8C0Q",
"6EQU",
"9P0W",
"9OBJ",
"9OAM",
"9LR6",
"9LDP",
"9LDO",
"9L33",
"9L32",
"9L31",
"9L30",
"9L2Z",
"9L2Y",
"9L2X",
"9KH8",
"9I29",
"9HXZ",
"9HWM",
"9HQG",
"9HQ3",
"9HNX",
"9HD6",
"9H0W",
"9H0V",
"9GUO",
"9GUM",
"9GU7",
"9GOO",
"9GFX",
"9GFW"... | millimolar (mM) | -4.387216 | 0.000041 | 1986-07-21T00:00:00 |
CN(C)C(=O)c1ccc(Cl)cc1S[C@H]1OC(CO)[C@H](O)[C@H](n2cc(-c3csc(O)n3)nn2)C1O | 165f02f9f2892852f3ba5d38dd319c19d9f65416084866dbc084e79e74640f55 | CN(C)C(=O)c1ccc(Cl)cc1S[C@H]1OC(CO)[C@H](O)[C@H](n2cc(-c3csc(=O)[nH]3)nn2)C1O | Homo sapiens | MADNFSLHDALSGSGNPNPQGWPGAWGNQPAGAGGYPGASYPGAYPGQAPPGAYPGQAPPGAYPGAPGAYPGAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGPYGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI | P17931 | kd | 508,752 | US11046725, Example 32 | PUBCHEM:C155634975 | Galectin-3 | 10.7270/Q25142CS | null | null | 155634975 | 459093799 | null | null | null | null | [
"8ITX",
"1KJR",
"1KJL",
"8BZ3",
"4JCK",
"4JC1",
"3T1M",
"3T1L",
"4RL7",
"4R9D",
"4R9C",
"4R9B",
"4R9A",
"8YMD",
"9NQO",
"7RDP",
"7RDO",
"6Q17",
"6Q0Q",
"6B8K",
"5EXO",
"5E8A",
"5E89",
"5E88",
"4LBN",
"4LBM",
"5H9R",
"5H9P",
"4XBN",
"9FDC",
"9FDB",
"8S67"... | millimolar (mM) | -2.677781 | 0.0021 | 1990-11-01T00:00:00 |
O=C1C2C3C=C(Br)C(O3)C2C(=O)N1c1ccc(Cc2ccncc2)cc1 | 544e6ded8e03f6928b0e4a14046e26741c0f1b143c8df10786bf104213b63524 | Oc1c2c(c(O)n1-c1ccc(Cc3ccncc3)cc1)C1OC2C=C1Br | Homo sapiens | MDEAVGDLKQALPCVAESPTVHVEVHQRGSSTAKKEDINLSVRKLLNRHNIVFGDYTWTEFDEPFLTRNVQSVSIIDTELKVKDSQPIDLSACTVALHIFQLNEDGPSSENLEEETENIIAANHWVLPAAEFHGLWDSLVYDVEVKSHLLDYVMTTLLFSDKNVNSNLITWNRVVLLHGPPGTGKTSLCKALAQKLTIRLSSRYRYGQLIEINSHSLFSKWFSESGKLVTKMFQKIQDLIDDKDALVFVLIDEVESLTAARNACRAGTEPSDAIRVVNAVLTQIDQIKRHSNVVILTTSNITEKIDVAFVDRADIKQYIG... | Q15645 | kd | 50,625,765 | CHEMBL5410369 | CHEMBL5410369 | Pachytene checkpoint protein 2 homolog | 10.7270/Q2KH0SRF | 38092072 | null | null | null | null | null | null | null | [
"6LK0"
] | millimolar (mM) | -0.826814 | 0.149 | 1997-11-01T00:00:00 |
Cc1[nH]nc(-c2ccc(OCc3nnn[nH]3)cc2O)c1Oc1ccc(Cl)cc1Cl | 19c3232f81e623f30c4cdc5fd34f44e0eb999b6e4e7615b38c781b9f01ab90b1 | Cc1[nH]nc(-c2ccc(OCc3nn[nH]n3)cc2O)c1Oc1ccc(Cl)cc1Cl | Homo sapiens | MGQCYYNETIGFFYNNSGKELSSHWRPKDVVVVALGLTVSVLVLLTNLLVIAAIASNRRFHQPIYYLLGNLAAADLFAGVAYLFLMFHTGPRTARLSLEGWFLRQGLLDTSLTASVATLLAIAVERHRSVMAVQLHSRLPRGRVVMLIVGVWVAALGLGLLPAHSWHCLCALDRCSRMAPLLSRSYLAVWALSSLLVFLLMVAVYTRIFFYVRRRVQRMAEHVSCHPRYRETTLSLVKTVVIILGAFVVCWTPGQVVLLLDGLGCESCNVLAVEKYFLLLAEANSLVNAAVYSCRDAEMRRTFRRLLCCACLRQSTRESV... | Q9HBW0 | kd | 50,594,511 | CHEMBL5182278 | PUBCHEM:C164946717 | Lysophosphatidic acid receptor 2 | 10.7270/Q2P84GWJ | 35948083 | null | 164946717 | 482605363 | null | null | null | null | [] | millimolar (mM) | -5.886057 | 0.000001 | 2002-12-06T00:00:00 |
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O | 44e1f625519ae7e9d1e64583d80bcb6d6328a3c7528890dcae860e1a4f9753cb | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O | Homo sapiens | MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTEGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTSDTQGDEAEAGEGGEN | P63104 | kd | 50,246,080 | CHEMBL4061432 | PUBCHEM:C137635449 | 14-3-3 protein zeta/delta | 10.7270/Q2ZW1PBD | 29028171 | null | 137635449 | 401960384 | null | null | null | null | [
"7D9V",
"7D8P",
"7D8H",
"5XY9",
"5WXN",
"2C1N",
"2C1J",
"9FVL",
"9FUM",
"8WF6",
"8WE2",
"6EF5",
"3RDH",
"9SV3",
"9O2Z",
"8VYW",
"8VYV",
"8VYU",
"8VYR",
"8VYQ",
"8VYP",
"7MFF",
"7MFE",
"7MFD",
"6Q0K",
"5ULO",
"4WRQ",
"4HKC",
"4BG6",
"3NKX",
"3CU8",
"2WH0"... | millimolar (mM) | -3.455932 | 0.00035 | 2004-09-13T00:00:00 |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12 | 8abe64e220d1d5bc7ac516435657a3aa24cd09216481a9ca4ba4d174ee47d0de | Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12 | null | MAVRKKDGGPNVKYYEAADTVTQFDNVRLWLGKNYKKYIQAEPPTNKSLSSLVVQLLQFQEEVFGKHVSNAPLTKLPIKCFLDFKAGGSLCHILAAAYKFKSDQGWRRYDFQNPSRMDRNVEMFMTIEKSLVQNNCLSRPNIFLCPEIEPKLLGKLKDIIKRHQGTVTEDKNNASHVVYPVPGNLEEEEWVRPVMKRDKQVLLHWGYYPDSYDTWIPASEIEASVEDAPTPEKPRKVHAKWILDTDTFNEWMNEEDYEVNDDKNPVSRRKKISAKTLTDEVNSPDSDRRDKKGGNYKKRKRSPSPSPTPEAKKKNAKKGP... | Q8TAQ2 | kd | 50,652,793 | CHEMBL5653589 | PUBCHEM:C117602383 | SWI/SNF complex subunit SMARCC2 | 10.7270/Q22N5711 | 29928781 | null | 117602383 | 519645063 | null | null | null | null | [
"9RN2",
"9RN1",
"9RMC",
"9RL4",
"7Y8R",
"7VDV",
"6LTJ",
"6LTH",
"6KAG"
] | millimolar (mM) | -5.236572 | 0.000006 | 2005-01-04T00:00:00 |
Cn1nc(NC2CCC(=O)NC2=O)c2ccccc21 | 806de2c2117f9316913ce0e8964eec95f25ba3f3bc4c89f87215463c2c2d92d0 | Cn1nc(NC2CCC(=O)NC2=O)c2ccccc21 | Homo sapiens | MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS... | Q96SW2 | kd | 575,319 | US11459335, Compound 116 | PUBCHEM:C146573428 | DNA damage-binding protein 1/Protein cereblon | 10.7270/Q20869F6 | null | null | 146573428 | 474497537 | null | null | null | null | [
"9NWT",
"9NWS",
"9DUR",
"8TNR",
"8TNQ",
"8TNP",
"9DWW",
"9DWV",
"9Q33",
"9OUK",
"9NGT",
"9NFR",
"9NFQ",
"8D81",
"8D80",
"8D7Z",
"8D7Y",
"8D7X",
"8D7W",
"8D7V",
"8D7U",
"8CVP",
"9YA9",
"9Q2D",
"9Q03",
"9DQD",
"8UH6",
"9SAI",
"9SAF",
"9H59",
"9E2U",
"6BOY"... | millimolar (mM) | -1.522879 | 0.03 | 2005-08-30T00:00:00 |
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 | f1641964c85019c2a256947ac458b0c5f36bfb12927a6e4e88c3309cbf3b0ad2 | C=c1c(C(=O)NC[C@H](O)CN2CCOCC2)c(C)[nH]c1=Cc1c(O)[nH]c2ccc(F)cc12 | Homo sapiens | MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQ... | Q96GD4 | kd | 31,095 | 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide | PUBCHEM:C10138259 | Aurora kinase B | 10.7270/Q2NC5ZHH | 22037378 | null | 10138259 | 252615339 | null | null | null | null | [] | millimolar (mM) | -3.468521 | 0.00034 | 2003-01-17T00:00:00 |
NS(=O)(=O)c1cc(C(=O)NCCO)c([S+]([O-])c2ccccc2)cc1Br | 55e10e6fb58f0e6fa24cce2023f77eaa73038951020d53e88a5c4baa496dfafa | NS(=O)(=O)c1cc(C(=O)NCCO)c([S+]([O-])c2ccccc2)cc1Br | Homo sapiens | MTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKCLLPASRHYWTYPGSLTTPPLSESVTWIVLREPICISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRA | P43166 | kd | 50,504,908 | CHEMBL4566236 | PUBCHEM:C126508486 | Carbonic anhydrase 7 | 10.7270/Q2VX0KS1 | 31740053 | null | 126508486 | 440713493 | null | null | C04080 | null | [
"3ML5",
"8Q3U",
"7P1A",
"7NC4",
"6ZR9",
"6SDT",
"6H38",
"6H37",
"6H36",
"6G4T",
"3MDZ"
] | millimolar (mM) | -5.949815 | 0.000001 | 1995-11-01T00:00:00 |
C[C@H]1CC[C@]2(Cc3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4CC[C@@H]4C)c3CO2)c2c1ccc(N)c2C#N | b1676381257bed5e3207171efbcefc1c80f1a8ac58204b1fd36c707f67e4d4c9 | C[C@H]1CC[C@]2(Cc3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4CC[C@@H]4C)c3CO2)c2c1ccc(N)c2C#N | Homo sapiens | MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM | P01116 | kd | 436,955 | US20260022132, Compound 612a | PUBCHEM:C134493834 | GTPase KRas [G12V] | 10.7270/Q2MW2NZB | null | null | 134493834 | 439658584 | null | null | null | null | [
"8PI0",
"7NY8",
"6YXW",
"6MQN",
"5V9O",
"5V9L",
"5V71",
"5KYK",
"5VQ0",
"5VPZ",
"5VPY",
"5VPI",
"5VP7",
"6GJ8",
"9C41",
"9PVF",
"5UK9",
"5UFE",
"6YR8",
"6WS4",
"9C43",
"5UFQ",
"7ROV",
"9C3Q",
"7RP3",
"8STN",
"6P0Z",
"5WHE",
"5WHD",
"7F0W",
"7EYX",
"9C3R"... | millimolar (mM) | -5.853872 | 0.000001 | 1986-07-21T00:00:00 |
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CN2CCC(C#N)CC2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | af5b10cfc8c3ce5d3adcaf18dc273e79bb674034240b263b6cf4bdda04bd1f51 | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CN2CCC(C#N)CC2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | Homo sapiens | MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE | P62937 | kd | 50,030,535 | CHEMBL3344499 | PUBCHEM:C90142573 | Peptidyl-prolyl cis-trans isomerase A | 10.7270/Q2HM5B1Z | 25310383 | null | 90142573 | 313065857 | null | CHEMBL3344499 | null | null | [
"9E3S",
"9CTB",
"9CTA",
"9CT9",
"9CT8",
"9CT7",
"9BGD",
"9BGC",
"9BGB",
"9BGA",
"9BG9",
"9BG8",
"9BG7",
"9BG6",
"9BG5",
"9BG4",
"9BG3",
"9BG2",
"9BG1",
"9BG0",
"9BFX",
"9BFV",
"9AX6",
"8TBN",
"8TBM",
"8TBL",
"8TBK",
"8TBJ",
"8TBI",
"8TBH",
"8TBG",
"8TBF"... | millimolar (mM) | -5.853872 | 0.000001 | 1987-08-13T00:00:00 |
CCOC(=O)c1cnc(SCC(=O)c2ccc(S(N)(=O)=O)cc2)[nH]c1=O | 13fc7b0b5c5a579a88daf7cf08fd340af066381cd400da60ba8f40ab3f5df1e1 | CCOC(=O)c1c[nH]c(SCC(=O)c2ccc(S(N)(=O)=O)cc2)nc1=O | Homo sapiens | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF | P00915 | kd | 50,380,154 | CHEMBL2010996 | PUBCHEM:C59053128 | Carbonic anhydrase 1 | 10.7270/Q2FJ2HSF | 22440859 | null | 59053128 | 160859237 | null | CHEMBL2010996 | null | null | [
"9RV0",
"9H81",
"9EP2",
"8RLO",
"8QUN",
"8QQ9",
"8QGV",
"8Q7G",
"8Q6L",
"8CDZ",
"8CDX",
"7ZL5",
"7QOB",
"7Q0D",
"7PLF",
"6Y00",
"6XZY",
"6XZX",
"6XZS",
"6XZO",
"6XZE",
"6SWM",
"6I0L",
"6I0J",
"6HWZ",
"6G3V",
"6FAG",
"6FAF",
"6F3B",
"6EX1",
"6EVR",
"5GMM"... | millimolar (mM) | -4.513034 | 0.000031 | 1986-07-21T00:00:00 |
Cc1nc2c(Nc3ccc(-c4cncn4C)cc3S(C)(=O)=O)cc(NC(=O)[C@H]3C[C@H]3F)nc2[nH]1 | bdf263214163385d718d171e8fb3d18d0b27baab837c6837a935d5bede3e4cdb | Cc1nc2c(Nc3ccc(-c4cncn4C)cc3S(C)(=O)=O)cc(NC(=O)[C@H]3C[C@H]3F)nc2[nH]1 | Homo sapiens | MPLRHWGMARGSKPVGDGAQPMAAMGGLKVLLHWAGPGGGEPWVTFSESSLTAEEVCIHIAHKVGITPPCFNLFALFDAQAQVWLPPNHILEIPRDASLMLYFRIRFYFRNWHGMNPREPAVYRCGPPGTEASSDQTAQGMQLLDPASFEYLFEQGKHEFVNDVASLWELSTEEEIHHFKNESLGMAFLHLCHLALRHGIPLEEVAKKTSFKDCIPRSFRRHIRQHSALTRLRLRNVFRRFLRDFQPGRLSQQMVMVKYLATLERLAPRFGTERVPVCHLRLLAQAEGEPCYIRDSGVAPTDPGPESAAGPPTHEVLVTG... | P29597 | kd | 442,300 | US10647713, Compound I-261 | PUBCHEM:C134456450 | Non-receptor tyrosine-protein kinase TYK2 [556-888] | 10.7270/Q2028VMR | null | null | 134456450 | 440073568 | null | null | null | null | [
"3ZON",
"5C03",
"5C01",
"8TB6",
"8TB5",
"8S9A",
"8S99",
"8S98",
"7AX4"
] | millimolar (mM) | -3.522879 | 0.0003 | 1993-04-01T00:00:00 |
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCC(=O)O)c2)cc1OC | 73b12419461613aface32f9ade8560c1d9d0b641b940fb7c2d57bf3a1fa90913 | COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCC(=O)O)c2)cc1OC | Homo sapiens | MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRMFDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAELIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEMEYGLSEKESKASESFLLAAF... | Q13451 | kd | 50,125,333 | CHEMBL3623612 | PUBCHEM:C86277875 | Peptidyl-prolyl cis-trans isomerase FKBP5 | 10.7270/Q2988BT3 | 33666419 | 7R0L,8CCA,8PJ8,8PJA | 86277875 | 104017560 | null | CHEMBL3623612 | null | null | [
"9KOX",
"7L7I",
"5OMP",
"5NJX",
"8FFW",
"3O5D",
"3O5F",
"3O5E",
"4DRI",
"4DRH",
"3O5K",
"3O5J",
"3O5I",
"3O5G",
"8BAJ",
"8BA6",
"7R0L"
] | millimolar (mM) | -5.008774 | 0.00001 | 1997-11-01T00:00:00 |
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O | 1639ff07b567f2bf47c74e38f07bcbba4181c5371f6a146f91092a5054438493 | CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O | Homo sapiens | MAFSGSQAPYLSPAVPFSGTIQGGLQDGLQITVNGTVLSSSGTRFAVNFQTGFSGNDIAFHFNPRFEDGGYVVCNTRQNGSWGPEERKTHMPFQKGMPFDLCFLVQSSDFKVMVNGILFVQYFHRVPFHRVDTISVNGSVQLSYISFQNPRTVPVQPAFSTVPFSQPVCFPPRPRGRRQKPPGVWPANPAPITQTVIHTVQSAPGQMFSTPAIPPMMYPHPAYPMPFITTILGGLYPSKSILLSGTVLPSAQRFHINLCSGNHIAFHLNPRFDENAVVRNTQIDNSWGSEERSLPRKMPFVRGQSFSVWILCEAHCLKVA... | O00182 | kd | 50,048,098 | CHEMBL3311526 | PUBCHEM:C118707323 | Galectin-9 | 10.7270/Q2PC341V | 24973029 | null | 118707323 | 103978631 | null | CHEMBL3311526 | null | null | [
"2ZHN",
"2ZHM",
"2ZHL",
"2ZHK",
"2EAL",
"2EAK",
"3WLU",
"3LSE",
"3LSD",
"3NV4",
"3NV3",
"3NV2",
"3NV1"
] | millimolar (mM) | -0.744727 | 0.18 | 1997-11-01T00:00:00 |
CN1CCc2cc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)ccc2C1 | f0d0d58f6a66ccba811584584ade019dfe712a50ec746844f6f0e2d71f0c2060 | CN1CCc2cc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)ccc2C1 | Homo sapiens | MAAAYLDPNLNHTPNSSTKTHLGTGMERSPGAMERVLKVFHYFESNSEPTTWASIIRHGDATDVRGIIQKIVDSHKVKHVACYGFRLSHLRSEEVHWLHVDMGVSSVREKYELAHPPEEWKYELRIRYLPKGFLNQFTEDKPTLNFFYQQVKSDYMLEIADQVDQEIALKLGCLEIRRSYWEMRGNALEKKSNYEVLEKDVGLKRFFPKSLLDSVKAKTLRKLIQQTFRQFANLNREESILKFFEILSPVYRFDKECFKCALGSSWIISVELAIGPEEGISYLTDKGCNPTHLADFTQVQTIQYSNSEDKDRKGMLQLKI... | Q05397 | kd | 155,552 | US9012461, 28 | PUBCHEM:C71209245 | Focal adhesion kinase 1 | 10.7270/Q2RN36K7 | null | null | 71209245 | 253681190 | null | null | null | null | [
"4NY0",
"6YXV",
"6YVY",
"6YVS",
"6YT6",
"6YR9",
"6YQ1",
"6YOJ",
"6I8Z",
"4KAO",
"4GU6",
"3PXK",
"2IJM",
"2ETM",
"4KAB",
"4K9Y",
"4K8A",
"4GU9",
"4Q9S",
"4I4F",
"4I4E",
"1MP8",
"3BZ3",
"4EBW",
"4EBV",
"7PI4",
"3B71",
"1K05",
"1K04",
"3S9O",
"1OW8",
"1OW7"... | millimolar (mM) | -6.026872 | 0.000001 | 1994-02-01T00:00:00 |
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 | 6770910a5753c8e637da05b92945c0312ecfca78ecd2f28c06dccc297034fa9d | CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 | Homo sapiens | MWSWKCLLFWAVLVTATLCTARPSPTLPEQAQPWGAPVEVESFLVHPGDLLQLRCRLRDDVQSINWLRDGVQLAESNRTRITGEEVEVQDSVPADSGLYACVTSSPSGSDTTYFSVNVSDALPSSEDDDDDDDSSSEEKETDNTKPNRMPVAPYWTSPEKMEKKLHAVPAAKTVKFKCPSSGTPNPTLRWLKNGKEFKPDHRIGGYKVRYATWSIIMDSVVPSDKGNYTCIVENEYGSINHTYQLDVVERSPHRPILQAGLPANKTVALGSNVEFMCKVYSDPQPHIQWLKHIEVNGSKIGPDNLPYVQILKTAGVNTTD... | P11362 | kd | 31,085 | 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea | PUBCHEM:C11409972 | Fibroblast growth factor receptor 1 | 10.7270/Q2SX6BK3 | 22037378 | null | 11409972 | 252615335 | null | null | null | ZINC23247639 | [
"1EVT",
"1GJO",
"1OEC",
"2CR3",
"3GQI",
"3RHX",
"3RI1",
"5A46",
"5W59",
"5ZV2",
"8E1X"
] | millimolar (mM) | -3.207608 | 0.00062 | 1989-07-01T00:00:00 |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OCCN5CCN(C)CC5)C4)cc3)nn3cccc23)n[nH]1 | 36d596df58285220f39fc63954b47e751314e28b53baddf64741a2ba2811dfee | Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OCCN5CCN(C)CC5)C4)cc3)nn3cccc23)[nH]n1 | Homo sapiens | MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRIPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCY... | O14965 | kd | 50,394,796 | CHEMBL2163410 | PUBCHEM:C53340226 | Aurora kinase A | 10.7270/Q2W0971F | 22380736 | null | 53340226 | 163343820 | null | CHEMBL2163410 | null | null | [
"2J4Z",
"1MUO",
"7O2V",
"8SSO",
"6CPG",
"6CPF",
"6CPE",
"6C83",
"8SSP",
"5G15",
"4O0S",
"4C3R",
"4C3P",
"4B0G",
"2XNG",
"1OL7",
"1OL5",
"7AYI",
"7AYH",
"6Z4Y",
"6I2U",
"6GRA",
"5ONE",
"4ZTS",
"4ZTR",
"4ZTQ",
"4ZS0",
"4BYJ",
"4BYI",
"2X6E",
"2X6D",
"2DWB"... | millimolar (mM) | -4.886057 | 0.000013 | 2003-01-27T00:00:00 |
O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 | b964509b9dde0d1d6585c94ee25372324a491058176b01e0fa292cd359e4d454 | O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 | Homo sapiens | MPAPRAPRALAAAAPASGKAKLTHPGKAILAGGLAGGIEICITFPTEYVKTQLQLDERSHPPRYRGIGDCVRQTVRSHGVLGLYRGLSSLLYGSIPKAAVRFGMFEFLSNHMRDAQGRLDSTRGLLCGLGAGVAEAVVVVCPMETIKVKFIHDQTSPNPKYRGFFHGVREIVREQGLKGTYQGLTATVLKQGSNQAIRFFVMTSLRNWYRGDNPNKPMNPLITGVFGAIAGAASVFGNTPLDVIKTRMQGLEAHKYRNTWDCGLQILKKEGLKAFYKGTVPRLGRVCLDVAIVFVIYDEVVKLLNKVWKTD | P53007 | kd | 50,624,083 | CHEMBL5416373 | CHEMBL5416373 | Tricarboxylate transport protein, mitochondrial | 10.7270/Q2K36023 | 37428122 | null | null | null | null | null | null | null | [] | millimolar (mM) | -1.196543 | 0.0636 | 1996-10-01T00:00:00 |
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)C2(c3ccccc3)CC2)C(=O)N1 | b47b632b96b55e068b137cc249792b4d91bf30d03f6b555301f29f8eeda4028d | CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)C2(c3ccccc3)CC2)C(=O)N1 | Homo sapiens | MQPDPRPSGAGACCRFLPLQSQCPEGAGDAVMYASTECKAEVTPSQHGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGEVAKQEEFFNLSHCQLVTLISRDDLNVRCESEVFHACINWVKYDCEQRRFYVQALLRAVRCHSLTPNFLQMQLQKCEILQSDSRCKDYLVKIFEELTLHKPTQVMPCR... | Q14145 | kd | 50,584,837 | CHEMBL5071662 | PUBCHEM:C166630970 | Kelch-like ECH-associated protein 1 | 10.7270/Q2FJ2MQS | 35108001 | null | 166630970 | 476020924 | null | null | null | null | [
"8XGV",
"8XGK",
"8IXS",
"8IVR",
"8IVG",
"6FMQ",
"6FMP",
"6ROG",
"4IFN",
"4IFL",
"4IFJ",
"2FLU",
"1U6D",
"7XOT",
"7XM5",
"7XM4",
"7XM3",
"7XM2",
"6TYP",
"6TYM",
"3VNH",
"3VNG",
"5X54",
"6HWS",
"4XMB",
"4IN4",
"9LH1",
"9L8Q",
"9KVW",
"9J7G",
"9J7F",
"9J71"... | millimolar (mM) | -2.19382 | 0.0064 | 2001-04-27T00:00:00 |
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | fb35558e2a0e5e6b3d8a051591c71de371891eb57c6a18272b034a5b85d76892 | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | Bos taurus | MFMASTTSAVPWHLSQPTPAGNGSEGELLTARDPLLAQAELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAHRHGGGTHWNRPVLLAWAFSLLFSLPQLFIFAQRDVDGSGVLDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLGPGPVPRAGGPRRGCRPGSPAEGARVSAAVAKTVKMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPREGPPFVLLMLLASLNSCTN... | P48044 | kd | 50,016,313 | CHEMBL217517 | PUBCHEM:C44386596 | Vasopressin V2 receptor | 10.7270/Q2P849V1 | 2416923 | null | 44386596 | 103927784 | null | CHEMBL217517 | null | null | [] | millimolar (mM) | -5.048727 | 0.000009 | 1996-02-01T00:00:00 |
Nc1ccc(-c2ccc(C(F)(F)F)cc2F)cc1NC(=O)N1Cc2ccncc2C1 | 678ed0c7f967505a69444827e241b6bb8641b354155b0af7cad5e6f0b32b4d8f | Nc1ccc(-c2ccc(C(F)(F)F)cc2F)cc1NC(=O)N1Cc2ccncc2C1 | Homo sapiens | MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVA... | Q92769 | kd | 413,948 | US10421756, Compound 132 | PUBCHEM:C124186463 | Histone deacetylase 2 | 10.7270/Q2PK0JGK | null | null | 124186463 | 433914045 | null | null | null | null | [
"9I2C",
"9GGN",
"9GGM",
"9GGL",
"8C60",
"8BPC",
"8BPB",
"8BPA",
"8A0B",
"7ZZW",
"7ZZU",
"7ZZT",
"7ZZS",
"7ZZR",
"7ZZP",
"7ZZO",
"9DTQ",
"9NTB",
"9K0G",
"9JWJ",
"9JV3",
"6WI3",
"6WHZ",
"6WHQ",
"6WHO",
"6WHN",
"7MOZ",
"7MOY",
"7MOX",
"7MOT",
"7MOS",
"7LTL"... | millimolar (mM) | -2.560667 | 0.00275 | 1998-07-15T00:00:00 |
[2H]C([2H])([2H])N(C(=O)c1ccc(C2=CCN([C@@H](C)c3cc4c(-c5ccc(N)cn5)ccnc4n3C)CC2)cc1)C([2H])([2H])[2H] | e4221f534ed4e8d23b794fa2ce73e25a613bf5aae2baff8c4d6b49bbf3020f13 | [2H]C([2H])([2H])N(C(=O)c1ccc(C2=CCN([C@@H](C)c3cc4c(-c5ccc(N)cn5)ccnc4n3C)CC2)cc1)C([2H])([2H])[2H] | Homo sapiens | MSLWGLVSKMPPEKVQRLYVDFPQHLRHLLGDWLESQPWEFLVGSDAFCCNLASALLSDTVQHLQASVGEQGEGSTILQHISTLESIYQRDPLKLVATFRQILQGEKKAVMEQFRHLPMPFHWKQEELKFKTGLRRLQHRVGEIHLLREALQKGAEAGQVSLHSLIETPANGTGPSEALAMLLQETTGELEAAKALVLKRIQIWKRQQQLAGNGAPFEESLAPLQERCESLVDIYSQLQQEVGAAGGELEPKTRASLTGRLDEVLRTLVTSCFLVEKQPPQVLKTQTKFQAGVRFLLGLRFLGAPAKPPLVRADMVTEKQ... | P42226 | kd | 784,459 | (S)-4-(1-(1-(4-(5-Aminopyridin-2-yl)- 1-methyl-1H-pyrrolo[2,3-b]pyridin-2- yl)ethyl)-1,2,3,6-tetrahydropyridin-4- yl)-N,N-bis(methyl-d3)benzamide and (R)-4-(1-(1-(4-(5-amino-pyridin-2-yl)- 1-methyl-1H-pyrrolo[2,3-b]pyridin-2- yl)ethyl)-1,2,3,6-tetrahydro-pyridin-4- yl)-N,N-bis(methyl-d3)benzamide | PUBCHEM:C177353494 | Signal transducer and activator of transcription 6 | 10.7270/Q2ZC87P0 | null | null | 177353494 | 523302796 | null | null | null | null | [
"4Y5W",
"4Y5U",
"9BIG",
"5D39",
"5NWX",
"5NWM"
] | millimolar (mM) | -2.530178 | 0.00295 | 1995-11-01T00:00:00 |
Nc1nccc(-c2nccs2)n1 | e728159c2cb5fae96e0a0de269192d06ed7f68d3a7a7d13f89884bf9c836b0c3 | Nc1nccc(-c2nccs2)n1 | Homo sapiens | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDW... | P07900 | kd | 50,354,818 | CHEMBL1834388 | PUBCHEM:C4131872 | Heat shock protein HSP 90-alpha | 10.7270/Q2QJ7HQX | 21875802 | null | 4131872 | 136361504 | null | CHEMBL1834388 | null | null | [
"9KQN",
"9KOX",
"9KMR",
"7L7J",
"7L7I",
"7KW7",
"7KRJ",
"8FFW",
"8FFV",
"3Q6N",
"3Q6M",
"7RY1",
"7RXZ",
"7UR3",
"7LT0",
"7LSZ",
"9X71",
"9X6X",
"8JR6",
"8SBT",
"8AGI",
"6N8X",
"6GQR",
"6GQ6",
"6GPY",
"6GPW",
"6GPT",
"6GPR",
"6CYH",
"6CYG",
"6CEO",
"6B9A"... | millimolar (mM) | -3.244125 | 0.00057 | 1988-08-01T00:00:00 |
CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | f008e2f768de37d74f46b434b3835cf82e6eaf6542047e51c8a91e04d5049e72 | CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | Homo sapiens | MLRGGRRGQLGWHSWAAGPGSLLAWLILASAGAAPCPDACCPHGSSGLRCTRDGALDSLHHLPGAENLTELYIENQQHLQHLELRDLRGLGELRNLTIVKSGLRFVAPDAFHFTPRLSRLNLSFNALESLSWKTVQGLSLQELVLSGNPLHCSCALRWLQRWEEEGLGGVPEQKLQCHGQGPLAHMPNASCGVPTLKVQVPNASVDVGDDVLLRCQVEGRGLEQAGWILTELEQSATVMKSGGLPSLGLTLANVTSDLNRKNVTCWAENDVGRAEVSVQVNVSFPASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGS... | P04629 | kd | 31,094 | PKC-412 | PUBCHEM:C24202429 | High affinity nerve growth factor receptor | 10.7270/Q2VT1QFJ | null | null | 24202429 | 242052840 | null | null | null | null | [
"2IFG",
"5H3Q",
"4AOJ",
"5KMO",
"5KMN",
"5KMM",
"5KML",
"5KMK",
"5KMJ",
"5KMI",
"9DAI",
"6DKI",
"6DKG",
"6DKB",
"6D20",
"6D1Z",
"6D1Y",
"7XBI",
"6PME",
"6PMC",
"6PMB",
"6PMA",
"6PL4",
"6PL3",
"6PL2",
"6PL1",
"6NSS",
"6NPT",
"5WR7",
"8J63",
"8J61",
"7XAF"... | millimolar (mM) | -3.420216 | 0.00038 | 1987-08-13T00:00:00 |
Cc1cnc(Nc2ccc(C(=O)NC3CCN(C(=O)COCCOCC(=O)N4CCC(NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c7)n6)cc5F)CC4)CC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | 799f4cc42bb2322c37c20a198e3d5d2ae7494d4e223cae51ad0b0b83123b9c4a | Cc1cnc(Nc2ccc(C(=O)NC3CCN(C(=O)COCCOCC(=O)N4CCC(NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c7)n6)cc5F)CC4)CC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | Homo sapiens | MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ... | O60885 | kd | 50,594,438 | CHEMBL5201173 | PUBCHEM:C164946925 | Bromodomain-containing protein 4 | 10.7270/Q2MG7THB | 35867655 | null | 164946925 | 482605290 | null | null | null | null | [
"6DNE",
"7TV0",
"6WW8",
"5U28",
"6X7D",
"6DJC",
"6C7Q",
"5UOO",
"8RQ9",
"7ZNT",
"7RUH",
"7JKZ",
"6SIS",
"5T35",
"5JWM",
"2YEM",
"2OUO",
"8G46",
"8BDX",
"8BDT",
"8YMB",
"6MNL",
"2MJV",
"2LSP",
"8ZMQ",
"6CD4",
"5WA5",
"5W55",
"7FH2",
"6IN1",
"6AJZ",
"6AJY"... | millimolar (mM) | -5.450092 | 0.000004 | 2001-01-11T00:00:00 |
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 | 49661d3e1e9467ecec28e4342a568f3ab60009f1edc3c5ad280a4d8b4fa7e0ff | C=c1c(C(=O)N2CCC[C@@H]2CN2CCCC2)c(C)[nH]c1=Cc1c(O)[nH]c2ccc(S(=O)(=O)Cc3c(Cl)cccc3Cl)cc12 | Homo sapiens | MSRRRFDCRSISGLLTTTPQIPIKMENFNNFYILTSKELGRGKFAVVRQCISKSTGQEYAAKFLKKRRRGQDCRAEILHEIAVLELAKSCPRVINLHEVYENTSEIILILEYAAGGEIFSLCLPELAEMVSENDVIRLIKQILEGVYYLHQNNIVHLDLKPQNILLSSIYPLGDIKIVDFGMSRKIGHACELREIMGTPEYLAPEILNYDPITTATDMWNIGIIAYMLLTHTSPFVGEDNQETYLNISQVNVDYSEETFSSVSQLATDFIQSLLVKNPEKRPTAEICLSHSWLQQWDFENLFHPEETSSSSQTQDHSVRS... | O94768 | kd | 50,242,737 | (R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one | PUBCHEM:C10461815 | Serine/threonine-protein kinase 17B | 10.7270/Q25D8S70 | 22037378 | null | 10461815 | 104099202 | null | CHEMBL450786 | null | null | [
"7Q7E",
"7Q7D",
"7Q7C",
"7AKG",
"6ZJF",
"6Y6H",
"6Y6F",
"6QF4",
"3LM5",
"3LM0"
] | millimolar (mM) | -2.455932 | 0.0035 | 2001-06-20T00:00:00 |
Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OC2CCNCC2)c(Cl)c1Cl | 7a28f41a50921a20eebbc29e52448cfc568cd5f1008976db55848ded15cd6da0 | Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OC2CCNCC2)c(Cl)c1Cl | Homo sapiens | MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKH... | P08238 | kd | 50,623,248 | CHEMBL5426888 | PUBCHEM:C162679458 | Heat shock protein HSP 90-beta | 10.7270/Q2251Q2X | 39388906 | null | 162679458 | 505041220 | null | null | null | null | [
"9W5I",
"8GFT",
"8GAE",
"7ZR6",
"7ZR5",
"7ZR0",
"5FWP",
"5FWM",
"5FWL",
"5FWK",
"8QMO",
"7ZUB",
"7Z38",
"7Z37",
"8EOB",
"8EOA",
"6N8W",
"9D9I",
"9D9H",
"3NMQ",
"6N8Y",
"1UYM",
"7ULJ",
"5UCJ",
"5UCI",
"5UCH",
"5UC4"
] | millimolar (mM) | -1.79588 | 0.016 | 1988-08-01T00:00:00 |
C[n+]1c(C#CCOc2ccc(Cl)cc2)cccc1C#CCOc1ccc(Cl)cc1 | 7b882671f2dcf1c07fb10ee72b8abf154fafe25dd00e21ebed5f978825d24229 | C[n+]1c(C#CCOc2ccc(Cl)cc2)cccc1C#CCOc1ccc(Cl)cc1 | Homo sapiens | MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVMQRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDGAVIMFILNFEVVMEKDMVGSPAHDTNHRGPPTSWLAPGRAKTFRLKLPALLALTARESSVRSGGAGGAGAPGAVVVDVDLTPAAPSSESLALDEVTAMDNHVAGLGPAEERRALVGPGSPPRSAPGQLPSPRAHSLNPDASGSSCSLARTRSRESCASVRRASSADDIEAMRAGVLPPPPRHASTGAMHPLRSGLLNSTS... | Q12809 | kd | 50,427,961 | CHEMBL2324239 | PUBCHEM:C71606562 | Potassium voltage-gated channel subfamily H member 2 | 10.7270/Q2FX7C6V | 26125327 | null | 71606562 | 164156836 | null | CHEMBL2324239 | null | null | [
"8IOB",
"8IO5",
"8IO4",
"5VA2",
"8ZYQ",
"8ZYP",
"8ZYO",
"8ZYN",
"7CN1",
"7CN0",
"5VA1",
"9CHS",
"9CHR",
"9CHQ",
"9CHP",
"5VA3",
"2L4R",
"4HQA",
"2L0W",
"6SYG",
"2N7G"
] | millimolar (mM) | -2.051734 | 0.008877 | 2000-05-30T00:00:00 |
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 | 874bef939d73cf0b20b13f4947c3e800227a462e254e467a77962305b0afcebf | Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 | Homo sapiens | MESLVFARRSGPTPSAAELARPLAEGLIKSPKPLMKKQAVKRHHHKHNLRHRYEFLETLGKGTYGKVKKARESSGRLVAIKSIRKDKIKDEQDLMHIRREIEIMSSLNHPHIIAIHEVFENSSKIVIVMEYASRGDLYDYISERQQLSEREARHFFRQIVSAVHYCHQNRVVHRDLKLENILLDANGNIKIADFGLSNLYHQGKFLQTFCGSPLYASPEIVNGKPYTGPEVDSWSLGVLLYILVHGTMPFDGHDHKILVKQISNGAYREPPKPSDACGLIRWLLMVNPTRRATLEDVASHWWVNWGYATRVGEQEAPHEG... | Q9H093 | kd | 15,138 | Biochemistry 469551 Compound 11 | PUBCHEM:C11314340 | NUAK family SNF1-like kinase 2 | 10.7270/Q25D8S70 | 22037378 | null | 11314340 | 46515449 | null | null | null | null | [] | millimolar (mM) | -2.376751 | 0.0042 | 2006-07-25T00:00:00 |
CC(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 | d1807deda39f979c658034c5ff54394747158f0c8ecf2f2881a102ebd55eddc7 | CC(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 | Homo sapiens | MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG... | Q16531 | kd | 627,016 | US11787802, Example 22 | PUBCHEM:C169489603 | DNA damage-binding protein 1/Protein cereblon | 10.7270/Q2HD80T6 | null | null | 169489603 | 485655429 | null | null | null | null | [
"9J6K",
"9W90",
"9W2F",
"9V0F",
"9V0B",
"9V0A",
"9UUM",
"9S3R",
"9OS2",
"9NGT",
"9NFR",
"9NFQ",
"9M0Y",
"9LWL",
"9LWJ",
"9LWI",
"9LU1",
"9LTZ",
"9LTW",
"9LTR",
"9LTO",
"9LTL",
"9LTJ",
"9IVD",
"9HNE",
"9H59",
"9DWV",
"9C5V",
"9C5U",
"9C5T",
"9BBI",
"9BBH"... | millimolar (mM) | -3.987163 | 0.000103 | 2001-01-11T00:00:00 |
Oc1cc(-c2[nH]cnc2-c2ccncc2)ccc1Cl | d426092ad5948774a6412975996a569c15ee677c9b73f6668d81e62ef2c0afda | Oc1cc(-c2[nH]cnc2-c2ccncc2)ccc1Cl | Homo sapiens | MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSA... | P15056 | kd | 50,176,325 | 2-chloro-5-(5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol | PUBCHEM:C22256705 | Serine/threonine-protein kinase B-raf | 10.7270/Q2Z038Z9 | 16260133 | null | 22256705 | 104061993 | null | CHEMBL200118 | null | null | [
"9O2Z",
"8VYO",
"7MFF",
"7MFE",
"7MFD",
"8DGT",
"8DGS",
"6Q0K",
"6NYB",
"4MNE",
"3II5",
"7SHV",
"6U2G",
"4PP7",
"4G9C",
"4EHE",
"4E4X",
"4E26",
"3TV6",
"3TV4",
"3SKC",
"3Q4C",
"3PSD",
"3PSB",
"3PRI",
"3PRF",
"3PPK",
"3PPJ",
"3D4Q",
"5FD2",
"4MBJ",
"5HIE"... | millimolar (mM) | -4.408935 | 0.000039 | 1990-11-01T00:00:00 |
O=C1C[C@@H]2CS[C@]3(C(=O)Nc4cccc(Br)c43)[C@H](c3ccc(Br)cc3)[C@H]2CN1c1ccc(-c2ccccc2)cc1 | 1bb7c95a0ed56ee18d66e7e785b0332ed794704d723cbf0da87521843e306b26 | O=C1C[C@@H]2CS[C@]3(C(=O)Nc4cccc(Br)c43)[C@H](c3ccc(Br)cc3)[C@H]2CN1c1ccc(-c2ccccc2)cc1 | Homo sapiens | MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDSVSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLADYWKCTSCNEMNPPLPSHCN... | Q00987 | kd | 50,260,854 | CHEMBL4100837 | PUBCHEM:C137661225 | E3 ubiquitin-protein ligase Mdm2 | 10.7270/Q21V5HD1 | 28797774 | null | 137661225 | 404340462 | null | null | null | null | [
"8BGU",
"5SWK",
"4XXB",
"5J7F",
"2LZG",
"4HBM",
"6KZU",
"6IM9",
"6AAW",
"5WTS",
"1Z1M",
"5TRF",
"2M86",
"8GCG",
"1YCR",
"7AYE",
"8PWC",
"7NA4",
"7NA3",
"7NA2",
"3JZR",
"2GV2",
"1T4F",
"2MPS",
"5J7G",
"3G03",
"3TU1",
"4WT2",
"4OGT",
"4OGN",
"4ODF",
"4ODE"... | millimolar (mM) | -2.522879 | 0.003 | 1993-04-01T00:00:00 |
CC1(COc2cc3nccc(Nc4ccc5scnc5c4)c3cc2P(C)(C)=O)COC1 | 6c16fdf6f2c2e2523a729e72d963e8c655d64a7e93f00c0d1ddb6a83eeedc839 | CC1(COc2cc3nccc(Nc4ccc5scnc5c4)c3cc2P(C)(C)=O)COC1 | Homo sapiens | MNGEAICSALPTIPYHKLADLRYLSRGASGTVSSARHADWRVQVAVKHLHIHTPLLDSERKDVLREAEILHKARFSYILPILGICNEPEFLGIVTEYMPNGSLNELLHRKTEYPDVAWPLRFRILHEIALGVNYLHNMTPPLLHHDLKTQNILLDNEFHVKIADFGLSKWRMMSLSQSRSSKSAPEGGTIIYMPPENYEPGQKSRASIKHDIYSYAVITWEVLSRKQPFEDVTNPLQIMYSVSQGHRPVINEESLPYDIPHRARMISLIESGWAQNPDERPSFLKCLIELEPVLRTFEEITFLEAVIQLKKTKLQSVSSA... | O43353 | kd | 689,114 | US20240190904, Example A9 | PUBCHEM:C165123378 | Receptor-interacting serine/threonine-protein kinase 2 | 10.7270/Q2GQ733F | null | null | 165123378 | 504490768 | null | null | null | null | [
"8AZA",
"9F3V",
"8X2O",
"6S1F",
"6FU5",
"6ES0",
"6SZJ",
"6SZE",
"6RNA",
"6RN8",
"6HMX",
"5J7B",
"5J79",
"5AR8",
"5AR7",
"5AR5",
"5AR4",
"5AR3",
"5AR2",
"5W5O",
"5W5J",
"6GGS",
"5YRN",
"2N83",
"2N7Z"
] | millimolar (mM) | -5.677781 | 0.000002 | 2002-05-02T00:00:00 |
CC(C)(C)c1cc(=O)[nH]c(SCC(=O)c2cccc(S(N)(=O)=O)c2)n1 | 417de42404e66292afeb961cbffa4a395ede82c66bece4a5b80b9c0581500171 | CC(C)(C)c1cc(=O)[nH]c(SCC(=O)c2cccc(S(N)(=O)=O)c2)n1 | Homo sapiens | MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVV... | O43570 | kd | 50,494,029 | CHEMBL2443201 | PUBCHEM:C136239525 | Carbonic anhydrase 12 | 10.7270/Q2S46VZ9 | 24103428 | null | 136239525 | 433961294 | null | null | null | null | [
"9R0U",
"9R0L",
"8CO3",
"7PP9",
"6QNL",
"6QNG",
"6QN0",
"1JD0",
"1JCZ",
"9R31",
"9FN8",
"9FN7",
"9F3G",
"9F30",
"9F2O",
"9F2N",
"7PUW",
"7PUV",
"7PUU",
"6T5Q",
"6T5P",
"6R71",
"6R6Y",
"6G7A",
"6G5L",
"5MSB",
"5MSA",
"5LLP",
"5LLO",
"5LL9",
"5LL5",
"4WW8"... | millimolar (mM) | -2.90309 | 0.00125 | 1999-07-15T00:00:00 |
CC(C)N1C(=O)C(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)N=C(c2ccccc2)c2ccccc21 | 132f921441595b9a7a710951f5d1fe38b4ea3701436136d13f204cae7c697574 | CC(C)N1C(=O)C(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)N=C(c2ccccc2)c2ccccc21 | null | MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILTERSNAQRQLIVKEYQAAYGKELKDDLKGDLSGHFEHLMVALVTPPAVFDAKQLKKSMKGAGTNEDALIEILTTRTSRQMKDISQAYYTVYKKSLGDDISSETSGDFRKALLTLADGRRDESLKVDEHLAKQDAQILYKAGENRWGTDEDKFTEILCLRSFPQLKLTFDEYRNISQKDIVDSIKGELSGHFEDLLLAIVNCVRNTPAFLAERLHRALKGIGTDEFTLNRIMVSRSEIDLLDIRTEFKKHYGYSLYSAIKSDTSGDYEITLLKICG... | P12429 | kd | 50,659,659 | CHEMBL6161586 | PUBCHEM:C178318968 | Annexin A3 | 10.7270/Q2HD81KG | 40013713 | null | 178318968 | 528506354 | null | null | null | null | [
"1AII",
"1AXN"
] | millimolar (mM) | -3.070581 | 0.00085 | 1989-10-01T00:00:00 |
Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C3)N4)nc(OCC3COC3)nc12 | eed5e80cc30ded51f447b2791954cf426c9336252204d883b2a33c0a040ce8a4 | Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C3)N4)nc(OCC3COC3)nc12 | Homo sapiens | MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM | P01116 | kd | 573,321 | US11453683, Example 53 | PUBCHEM:C156124989 | GTPase KRas [G12D] | 10.7270/Q2QR5281 | null | null | 156124989 | 474495700 | null | null | null | null | [
"8JHL",
"7NY8",
"6YXW",
"6MQN",
"7W5R",
"7C41",
"7C40",
"6YR8",
"5UK9",
"5UFE",
"7RSE",
"7RSC",
"6W4E",
"9KFL",
"4TQ9",
"5OCG",
"4DSU",
"4DST",
"4DSO",
"4DSN",
"6W4F",
"8G4F",
"6H47",
"6H46",
"5O2T",
"5O2S",
"5MLB",
"5MLA",
"8QVU",
"5WPM",
"5WLB",
"6P0Z"... | millimolar (mM) | -2.359618 | 0.004369 | 1986-07-21T00:00:00 |
CC(NC(=O)c1cccc(CNC2=NCCN2)c1)c1cccc(Cl)c1 | 5ee74ba68e15523ff7c8c632efd1b50b9bfeca05487ab57648a0008defa678b7 | CC(NC(=O)c1cccc(CNC2=NCCN2)c1)c1cccc(Cl)c1 | Human | MATEEKKPETEAARAQPTPSSSATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAA... | P61964 | kd | 468,872 | US10807959, Example B5 | PUBCHEM:C146370875 | WD repeat-containing protein 5 | 10.7270/Q2HQ444G | 34591474 | 6E1Y | 146370875 | 441570973 | null | null | null | null | [
"2G99",
"2G9A",
"2GNQ",
"2H13",
"2H14",
"2H68",
"2H6K",
"2H6N",
"2H6Q",
"2XL2",
"2XL3",
"3EG6",
"3EMH",
"3MXX",
"3N0D",
"3N0E",
"3P4F",
"3PSL",
"3UVK",
"3UVL",
"3UVM",
"3UVN",
"3UVO",
"4A7J",
"4CY1",
"4CY2",
"4ERQ",
"4ERY",
"4ERZ",
"4ES0",
"4ESG",
"4EWR"... | millimolar (mM) | -4.657577 | 0.000022 | 2004-06-07T00:00:00 |
COc1cc(C(C)(C)CCCCCCN=[N+]=[N-])cc(OC)c1[C@H]1C=C(CNC(=O)CCCCCCNC(=O)c2ccc(S(=O)(=O)N(CC#N)C(=O)CCC3CN(CCOCCNc4ccc([N+](=O)[O-])c5nonc45)N=N3)cc2)[C@H]2C[C@@H]1C2(C)C | 419fdba49acce1be994417c40dc2937d66e01c5d8284e2a12f4220e00de0fe93 | COc1cc(C(C)(C)CCCCCCN=[N+]=[N-])cc(OC)c1[C@H]1C=C(CNC(=O)CCCCCCNC(=O)c2ccc(S(=O)(=O)N(CC#N)C(=O)CCC3CN(CCOCCNc4ccc([N+](=O)[O-])c5nonc45)N=N3)cc2)[C@H]2C[C@@H]1C2(C)C | Homo sapiens | MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKC... | P34972 | kd | 782,778 | N-(7-((((1S,4S,5S)-4-(4-(8-azido-2-methyloctan-2-yl)-2,6-dimethoxyphenyl)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)amino)-7-oxoheptyl)-4-(N-(cyanomethyl)-N-(3-(1-(2-(2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)propanoyl)sulfamoyl)benzamide | PUBCHEM:C177895568 | Cannabinoid receptor 2 | 10.7270/Q2Q24529 | null | null | 177895568 | 523301123 | null | null | null | null | [
"8GUS",
"8GUR",
"8GUQ",
"6PT0",
"6KPF",
"8GUT",
"8X3L",
"5ZTY",
"6KPC",
"2KI9"
] | millimolar (mM) | -3.818156 | 0.000152 | 1994-02-01T00:00:00 |
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 6e07ea7125c9c20ea777201b29dda54f44c6b66e1a7f8e02cc5c5e2a3ef7274d | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | MQPMTARFDLFVVGSGFFGLTIAERVATQLDKRVLVLERRPHIGGNAYSEAEPQTGIEVHKYGAHLFHTSNKRVWDYVRQFTDFTDYRHRVFAMHNGQAYQFPMGLGLVSQFFGKYFTPEQARQLIAEQAAEIDTADAQNLEEKAISLIGRPLYEAFVKGYTAKQWQTDPKELPAANITRLPVRYTFDNRYFSDTYEGLPTDGYTAWLQNMAADHRIEVRLNTDWFDVRGQLRPGSPAAPVVYTGPLDRYFDYAEGRLGWRTLDFEVEVLPIGDFQGTAVMNYNDLDVPYTRIHEFRHFHPERDYPTDKTVIMREYSRFA... | P9WIQ1 | kd | 50,118,239 | uridine 5'-(trihydrogen diphosphate) | PUBCHEM:C6031 | UDP-galactopyranose mutase | 10.7270/Q2BR8X5R | 35777270 | null | 6031 | 104011576 | null | CHEMBL130266 | C03517 | null | [
"1V0J"
] | millimolar (mM) | -1.455932 | 0.035 | 2014-04-16T00:00:00 |
CN1CC[C@H](COc2nc3c(c(N4CCCn5nc(C(=O)N(C)C)cc5C4)n2)COC2(CCCc4ccc(N)c(C#N)c42)C3)C1 | c1f5c074a518ba16d43134014d21f852a7cbb9455752b11f278eb9c9d3f641da | CN1CC[C@H](COc2nc3c(c(N4CCCn5nc(C(=O)N(C)C)cc5C4)n2)COC2(CCCc4ccc(N)c(C#N)c42)C3)C1 | Homo sapiens | MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM | P01116 | kd | 436,824 | 5-(7-amino-8-cyano-2'-(((S)-1-methylpyrrolidin-3-yl)methoxy)-3,4,5',8'-tetrahydro-2H-spiro[naphthalene-1,7'-pyrano[4,3-d]pyrimidin]-4'-yl)-N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide | PUBCHEM:C134493839 | GTPase KRas [G12V] | 10.7270/Q2MW2NZB | null | null | 134493839 | 439658453 | null | null | null | null | [
"8PI0",
"7NY8",
"6YXW",
"6MQN",
"5V9O",
"5V9L",
"5V71",
"5KYK",
"5VQ0",
"5VPZ",
"5VPY",
"5VPI",
"5VP7",
"6GJ8",
"9C41",
"9PVF",
"5UK9",
"5UFE",
"6YR8",
"6WS4",
"9C43",
"5UFQ",
"7ROV",
"9C3Q",
"7RP3",
"8STN",
"6P0Z",
"5WHE",
"5WHD",
"7F0W",
"7EYX",
"9C3R"... | millimolar (mM) | -4.481486 | 0.000033 | 1986-07-21T00:00:00 |
Cc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1CO | d2dd9c36fc29e47f1cc0e9395f9329e8ff1055dd657e489cf3dd7c643826f71b | Cc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1CO | Human | MSSTQGNGEHWKSLESVGISRKELAMAEALQMEYDALSRLRHDKEENRAKQNADPSLISWDEPGVDFYSKPAGRRTDLKLLRGLSGSDPTLNYNSLSPQEGPPNHSTSQGPQPGSDPWPKGSLSGDYLYIFDGSDGGVSSSPGPGDIEGSCKKLSPPPLPPRASIWDTPPLPPRKGSPSSSKISQPSDINTFSLVEQLPGKLLEHRILEEEEVLGGGGQGRLLGSVDYDGINDAITRLNLKSTYDAEMLRDATRGWKEGRGPLDFSKDTSGKPVARSKTMPPQVPPRTYASRYGNRKNATPGKNRRISAAPVGSRPHTVA... | O00750 | kd | 288,397 | US10087187, Compound 94 | PUBCHEM:C121426407 | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 10.7270/Q2M61N9J | null | null | 121426407 | 378171940 | null | null | null | null | [] | millimolar (mM) | -4.744727 | 0.000018 | 2001-04-27T00:00:00 |
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 | f1641964c85019c2a256947ac458b0c5f36bfb12927a6e4e88c3309cbf3b0ad2 | C=c1c(C(=O)NC[C@H](O)CN2CCOCC2)c(C)[nH]c1=Cc1c(O)[nH]c2ccc(F)cc12 | Homo sapiens | MRRLSSWRKMATAEKQKHDGRVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNRQKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKKICDGIFYTPQYLNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEDPSYSSTMIDDEALKEVCEKFECSEEEVLS... | Q13131 | kd | 31,095 | 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide | PUBCHEM:C10138259 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | 10.7270/Q2M61HMX | 22037378 | null | 10138259 | 252615339 | null | null | null | null | [
"4REW",
"4RER",
"7M74",
"7JIJ",
"7JHH",
"7JHG"
] | millimolar (mM) | -4 | 0.0001 | 1998-07-15T00:00:00 |
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 | b09b707c370c956ecb4811d0447c2870011be64fa2dd24c128ac0e25c04b32e2 | CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 | Homo sapiens | MERRASETPEDGDPEEDTATALQRLVELTTSRVTPVRSLRDQYHLIRKLGSGSYGRVLLAQPHQGGPAVALKLLRRDLVLRSTFLREFCVGRCVSAHPGLLQTLAGPLQTPRYFAFAQEYAPCGDLSGMLQERGLPELLVKRVVAQLAGALDFLHSRGLVHADVKPDNVLVFDPVCSRVALGDLGLTRPEGSPTPAPPVPLPTAPPELCLLLPPDTLPLRPAVDSWGLGVLLFCAATACFPWDVALAPNPEFEAFAGWVTTKPQPPQPPPPWDQFAPPALALLQGLLDLDPETRSPPLAVLDFLGDDWGLQGNREGPGVL... | P0C264 | kd | 6,568 | PD-173955 | PUBCHEM:C447077 | Uncharacterized serine/threonine-protein kinase SBK3 | 10.7270/Q25D8S70 | 22037378 | null | 447077 | 8036145 | null | CHEMBL386051 | null | null | [] | millimolar (mM) | -2.958607 | 0.0011 | 2006-11-28T00:00:00 |
CNc1cc(Nc2cccn([C@H]3[C@@H]4COC[C@@H]43)c2=O)nc2c(C(=O)NC3CC[C@H]3F)cnn12 | 97ce61e5340324cec6ec59a81535c89812ab723f3c2a0cc363ceb054e56ac3cc | CNc1cc(Nc2cccn([C@H]3[C@@H]4COC[C@@H]43)c2=O)nc2c(C(=O)NC3CC[C@H]3F)cnn12 | Homo sapiens | MPLRHWGMARGSKPVGDGAQPMAAMGGLKVLLHWAGPGGGEPWVTFSESSLTAEEVCIHIAHKVGITPPCFNLFALFDAQAQVWLPPNHILEIPRDASLMLYFRIRFYFRNWHGMNPREPAVYRCGPPGTEASSDQTAQGMQLLDPASFEYLFEQGKHEFVNDVASLWELSTEEEIHHFKNESLGMAFLHLCHLALRHGIPLEEVAKKTSFKDCIPRSFRRHIRQHSALTRLRLRNVFRRFLRDFQPGRLSQQMVMVKYLATLERLAPRFGTERVPVCHLRLLAQAEGEPCYIRDSGVAPTDPGPESAAGPPTHEVLVTG... | P29597 | kd | 565,637 | US11414431, Compound I-203 | PUBCHEM:C146560356 | Non-receptor tyrosine-protein kinase TYK2 [556-888] | 10.7270/Q21G0RRQ | null | null | 146560356 | 472627383 | null | null | null | null | [
"3ZON",
"5C03",
"5C01",
"8TB6",
"8TB5",
"8S9A",
"8S99",
"8S98",
"7AX4"
] | millimolar (mM) | -6.69897 | 0 | 1993-04-01T00:00:00 |
CC(C)OCCCNC(=O)[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(C(C)C)c(O)cc1O | 4c733dd3756b5e6b6f63090fbfc5459f8bdade79ff1f0dcc06cc2ad9bbb4631a | CC(C)OCCCNC(=O)[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(C(C)C)c(O)cc1O | Homo sapiens | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDW... | P07900 | kd | 50,667,069 | CHEMBL6176585 | CHEMBL6176585 | Heat shock protein HSP 90-alpha/90-beta | 10.7270/Q2T4402V | 39967617 | null | null | null | null | null | null | null | [
"9KQN",
"9KOX",
"9KMR",
"7L7J",
"7L7I",
"7KW7",
"7KRJ",
"8FFW",
"8FFV",
"3Q6N",
"3Q6M",
"7RY1",
"7RXZ",
"7UR3",
"7LT0",
"7LSZ",
"9X71",
"9X6X",
"8JR6",
"8SBT",
"8AGI",
"6N8X",
"6GQR",
"6GQ6",
"6GPY",
"6GPW",
"6GPT",
"6GPR",
"6CYH",
"6CYG",
"6CEO",
"6B9A"... | millimolar (mM) | -3.694649 | 0.000202 | 1988-08-01T00:00:00 |
Cc1cc2[nH]c(N3CC(=O)N(C)C3=O)cc2nc1N | 28cc267f88eb0935d4a56c905b47f9d81af51383f291f90196e3e4337c3a6276 | Cc1cc2[nH]c(-n3cc(O)n(C)c3=O)cc2nc1N | Homo sapiens | MRKETPPPLVPPAAREWNLPPNAPACMERQLEAARYRSDGALLLGASSLSGRCWAGSLWLFKDPCAAPNEGFCSAGVQTEAGVADLTWVGERGILVASDSGAVELWELDENETLIVSKFCKYEHDDIVSTVSVLSSGTQAVSGSKDICIKVWDLAQQVVLSSYRAHAAQVTCVAASPHKDSVFLSCSEDNRILLWDTRCPKPASQIGCSAPGYLPTSLAWHPQQSEVFVFGDENGTVSLVDTKSTSCVLSSAVHSQCVTGLVFSPHSVPFLASLSEDCSLAVLDSSLSELFRSQAHRDFVRDATWSPLNHSLLTTVGWDH... | Q9BQA1 | kd | 703,943 | US20240368153, Example 13-4 | PUBCHEM:C166460426 | Protein arginine N-methyltransferase 5 (PRMT5) and Methylosome protein WDR77 (MEP-50) | 10.7270/Q2S75MVQ | null | null | 166460426 | 507747892 | null | null | null | null | [
"6UGH",
"9NWY",
"9MRE",
"9E3B",
"9E3A",
"9DOD",
"9C10",
"7MXN",
"7MXG",
"7MXC",
"7MXA",
"7MX7",
"6CKC",
"4GQB",
"9T43",
"9OVY",
"9EYX",
"9EYW",
"9EYV",
"9EYU",
"8X6L",
"8G1U",
"7M05",
"6V0P",
"6V0O",
"6V0N",
"5FA5",
"9PCA",
"7BO7",
"6RLQ",
"6RLL",
"9ZL4"... | millimolar (mM) | -1.740329 | 0.018183 | 2003-06-20T00:00:00 |
COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc2ccccc2)cc1 | 6637dc0442f39cb92d708bc4a24dfdf09d43b84cf32a28f352649de5538ea5b0 | COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc2ccccc2)cc1 | Homo sapiens | MGPRRLLLVAACFSLCGPLLSARTRARRPESKATNATLDPRSFLLRNPNDKYEPFWEDEEKNESGLTEYRLVSINKSSPLQKQLPAFISEDASGYLTSSWLTLFVPSVYTGVFVVSLPLNIMAIVVFILKMKVKKPAVVYMLHLATADVLFVSVLPFKISYYFSGSDWQFGSELCRFVTAAFYCNMYASILLMTVISIDRFLAVVYPMQSLSWRTLGRASFTCLAIWALAIAGVVPLLLKEQTIQVPGLNITTCHDVLNETLLEGYYAYYFSAFSAVFFFVPLIISTVCYVSIIRCLSSSAVANRSKKSRALFLSAAVFC... | P25116 | kd | 50,098,210 | 5-Guanidino-2-(3-(4-methoxy-phenyl)-2-{3-[3-pyrrolidin-1-ylmethyl-1-(4-trifluoromethoxy-benzyl)-1H-indol-6-yl]-ureido}-propionylamino)-pentanoic acid benzylamide | PUBCHEM:C10724264 | Proteinase-activated receptor 1 | 10.7270/Q24X571D | 11297447 | null | 10724264 | 103995301 | null | CHEMBL268328 | null | null | [
"9D4Z"
] | millimolar (mM) | -5.619789 | 0.000002 | 1992-05-01T00:00:00 |
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O | 8d8d0e9446592ddbbad8dc3c2fa811a899aca55b3395925c0124d59d40d4fd67 | Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O | Homo sapiens | MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQ... | P27487 | kd | 16,285 | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile | PUBCHEM:C11450633 | Dipeptidyl peptidase 4 | 10.7270/Q2WW7N6V | 27438064 | null | 11450633 | 46516529 | null | null | null | null | [
"9D56",
"9CAR",
"2BGR",
"2JID",
"3F8S",
"2QJR",
"3W2T",
"3VJM",
"3VJL",
"3VJK",
"1WCY",
"1J2E",
"1PFQ",
"8ZDX",
"2RIP",
"9JMM",
"9JMJ",
"5Y7K",
"5Y7J",
"5Y7H",
"4LKO",
"4L72",
"4JH0",
"4J3J",
"4DTC",
"4DSZ",
"4DSA",
"3OC0",
"3KWJ",
"3KWF",
"3H0C",
"3EIO"... | millimolar (mM) | -5.078695 | 0.000008 | 1992-08-01T00:00:00 |
N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@H]1CCC[C@H](N)C1)C(=O)NCC(=O)Nc1ccc(CN2CCOCC2)cc1 | ba0383cbd334a0b796b3f569d3277c431f5236d4c007889c85799cf63aed4300 | N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@H]1CCC[C@H](N)C1)C(=O)NCC(=O)Nc1ccc(CN2CCOCC2)cc1 | Homo sapiens | MAGIFYFALFSCLFGICDAVTGSRVYPANEVTLLDSRSVQGELGWIASPLEGGWEEVSIMDEKNTPIRTYQVCNVMEPSQNNWLRTDWITREGAQRVYIEIKFTLRDCNSLPGVMGTCKETFNLYYYESDNDKERFIRENQFVKIDTIAADESFTQVDIGDRIMKLNTEIRDVGPLSKKGFYLAFQDVGACIALVSVRVFYKKCPLTVRNLAQFPDTITGADTSSLVEVRGSCVNNSEEKDVPKMYCGADGEWLVPIGNCLCNAGHEERSGECQACKIGYYKALSTDATCAKCPPHSYSVWEGATSCTCDRGFFRADNDA... | P54764 | kd | 50,572,062 | CHEMBL4853333 | PUBCHEM:C164611242 | Ephrin type-A receptor 4 | 10.7270/Q2PK0KXT | 34293864 | null | 164611242 | 471062207 | null | null | null | null | [
"4BKF",
"4M4R",
"4M4P",
"3GXU"
] | millimolar (mM) | -3.841638 | 0.000144 | 1996-10-01T00:00:00 |
CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 | d020f38276034cf397b80022fe97a01e2dde1a5d4ad45bafae2d4fdd9d7b1531 | CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 | Homo sapiens | MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTY... | P00519 | kd | 124,970 | US8765747, 2 | PUBCHEM:C51359962 | Tyrosine-protein kinase ABL1 | 10.7270/Q2VX0F6R | null | null | 51359962 | 225151358 | null | null | null | null | [
"1OPK",
"8SSN",
"6XR7",
"6XR6",
"2E2B",
"6NPV",
"6NPU",
"6NPE",
"3PYY",
"4ZOG",
"3OXZ",
"7DT2",
"7CC2",
"7W7Y",
"2HZ4",
"2HYY",
"8I7Z",
"8I7T",
"8I7S",
"7W7X",
"3CS9",
"2HZI",
"2GQG",
"7N9G",
"3QRK",
"3QRI",
"2HZ0",
"2ABL"
] | millimolar (mM) | -5.701152 | 0.000002 | 1986-07-21T00:00:00 |
O=C1NC(=O)c2c(NCc3cccc(O)c3)cccc21 | d4b0f078925bfb05fbf2cc0235aeb148b422aa12b244b58c86d5c4350ec11765 | O=C1NC(=O)c2c(NCc3cccc(O)c3)cccc21 | null | MNRSALDFRHFVDHLRRQGDLVDVHTEVDANLEIGAITRRVYERRAPAPLFHNIRDSLPGARVLGAPAGLRADRARAHSRLALHFGLPEHSGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRFPVPLLHEQDGGRYFGTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPTIPTQHIGIIREQWRRLGKPTPWAMALGAPPAALAAAGMPLPEGVSEAGYVGALVGEPVEVVRTQTNGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVAGTPPEENHT... | Q9I6N5 | kd | 729,826 | US12263156, Analog 12 | PUBCHEM:C138115389 | Pyrrole-2-carboxylic acid decarboxylase | 10.7270/Q2HQ44FH | null | 6NLJ | 138115389 | 518299744 | null | null | null | null | [
"7ABN",
"4IWS",
"4IP2"
] | millimolar (mM) | -1.677781 | 0.021 | 2015-10-14T00:00:00 |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1 | cbcd02f1fba82b5fcf0a6d4a37d93b1be4ac4100caf60e8ddff5856adca90f43 | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1 | Homo sapiens | MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD | P40337 | kd | 50,581,598 | CHEMBL5081695 | PUBCHEM:C166627875 | von Hippel-Lindau disease tumor suppressor | 10.7270/Q29P35H7 | 34881891 | null | 166627875 | 476026603 | null | null | null | null | [
"4WQO",
"8QVU",
"8QU8",
"9HYN",
"9GIO",
"8RX0",
"8RWZ",
"8R5H",
"8C13",
"6R7F",
"6I7R",
"6I7Q",
"6GFX",
"5N4W",
"1VCB",
"1LM8",
"9MR9",
"9DTY",
"9DTX",
"9D4B",
"8VLB",
"8VL9",
"8EWV",
"8YMB",
"7KHH",
"7CJB",
"8WDK",
"7PI4",
"6ZHC",
"6FMK",
"6FMJ",
"6FMI"... | millimolar (mM) | -3.609065 | 0.000246 | 1995-02-01T00:00:00 |
CC1(C)CCC(C)(C)c2cc(C(N=N)c3ccc4cc(C(=O)O)ccc4c3)ccc21 | 521eaa5041bb5cf6cb70b1e5199dbc5967b7de5e06f55c5a402f79cf2fc1741b | CC1(C)CCC(C)(C)c2cc(C(N=N)c3ccc4cc(C(=O)O)ccc4c3)ccc21 | Homo sapiens | MTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPPSGCSTPSPATIETQSTSSEELVPSPPSPLPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMIYTCHRDKNCVINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKETSKQECTESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLE... | P10826 | kd | 50,051,551 | 6-[Hydrazono-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-naphthalene-2-carboxylic acid | PUBCHEM:C91929430 | Retinoic acid receptor beta | 10.7270/Q2MS3RVK | 8691435 | null | 91929430 | 103948549 | null | CHEMBL82609 | null | null | [
"4DM8",
"4DM6",
"1XAP",
"5K13",
"1EXX",
"1EXA",
"4LBD",
"3LBD",
"2LBD",
"1HRA"
] | millimolar (mM) | -4.366532 | 0.000043 | 1989-07-01T00:00:00 |
CCc1nc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ncn(C)c2n1 | 3c2134cfe5a0cd11b43737a64dcff296d2c448a43a46cfd2e607cb2d6d3752d1 | CCc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ncn(C)c2n1 | Oryctolagus cuniculus | MMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYI... | P34976 | kd | 50,403,208 | CHEMBL49528 | PUBCHEM:C44294465 | Type-1 angiotensin II receptor | 10.7270/Q2G44RFS | null | null | 44294465 | 163352232 | null | CHEMBL49528 | null | null | [
"6OS2",
"6OS1",
"6OS0",
"6DO1"
] | millimolar (mM) | -5.289883 | 0.000005 | 1994-02-01T00:00:00 |
Cc1noc2c1C(=O)c1sc(C(=O)NCCCN3CCCC3)cc1C2=O | e8b55ed0fb95b8e9bd64df3d9f665ca06db61630423b4658506489ee5b662204 | Cc1noc2c1C(=O)c1sc(C(=O)NCCCN3CCCC3)cc1C2=O | Human | MAQWNQLQQLDTRYLEQLHQLYSDSFPMELRQFLAPWIESQDWAYAASKESHATLVFHNLLGEIDQQYSRFLQESNVLYQHNLRRIKQFLQSRYLEKPMEIARIVARCLWEESRLLQTAATAAQQGGQANHPTAAVVTEKQQMLEQHLQDVRKRVQDLEQKMKVVENLQDDFDFNYKTLKSQGDMQDLNGNNQSVTRQKMQQLEQMLTALDQMRRSIVSELAGLLSAMEYVQKTLTDEELADWKRRQQIACIGGPPNICLDRLENWITSLAESQLQTRQQIKKLEELQQKVSYKGDPIVQHRPMLEERIVELFRNLMKSA... | P40763 | kd | 50,635,143 | CHEMBL5558267 | PUBCHEM:C176132562 | Signal transducer and activator of transcription 3 | 10.7270/Q2BG2TKV | 38704936 | null | 176132562 | 519655546 | null | null | null | null | [
"6TLC",
"6NUQ",
"6NJS",
"3CWG"
] | millimolar (mM) | -2.356547 | 0.0044 | 1995-02-01T00:00:00 |
C=CC(=O)N(C)CCOc1c(N)ncnc1-c1ccc(CN2CCN(CC(C)C)CC2=O)c(C)c1 | c835bc0e00d8df947a123fc631b0e493fe732f487d580ff532fc8b688bae2154 | C=CC(=O)N(C)CCOc1c(N)ncnc1-c1ccc(CN2CCN(CC(C)C)CC2=O)c(C)c1 | Homo sapiens | MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVF... | Q06187 | kd | 50,596,438 | CHEMBL5188786 | PUBCHEM:C163196471 | Tyrosine-protein kinase BTK | 10.7270/Q2C251FV | 35041943 | null | 163196471 | 482607290 | null | null | null | null | [
"1K2P",
"1QLY",
"2Z0P",
"3OCS",
"3P08",
"4NWM",
"4OTF",
"4RX5",
"4YHF",
"4ZLY",
"4ZLZ",
"5FBN",
"5FBO",
"5J87",
"5KUP",
"5U9D",
"5VFI",
"5VGO",
"5XYZ",
"5ZZ4",
"6AUA",
"6AUB",
"6BIK",
"6BKE",
"6BKH",
"6BKW",
"6BLN",
"6DI0",
"6DI1",
"6DI3",
"6DI5",
"6DI9"... | millimolar (mM) | -6.040959 | 0.000001 | 1994-06-01T00:00:00 |
NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1 | 9aa9115f3609db52d649bb624996b7074939b372f1820dba5303720de7c47038 | NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1 | Homo sapiens | MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSD... | Q16790 | kd | 50,031,589 | CHEMBL3359179 | PUBCHEM:C73776203 | Carbonic anhydrase 9 | 10.7270/Q280547S | 25358084 | 4PYX,4Q06,4Q08,5OGJ,6FE0,6ROF,7NZR | 73776203 | 313066082 | null | CHEMBL3359179 | null | null | [
"6Y74"
] | millimolar (mM) | -5.268465 | 0.000005 | 1999-07-15T00:00:00 |
CCOC(=O)N1CC2(C1)CN(c1ccc(-c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cnc(C)c5Cl)cc34)cn1)C2 | 4666d8d793b4ccb692666cfc03ea1d65196f0c04bfe1e2238f81d7eada0ca997 | CCOC(=O)N1CC2(C1)CN(c1ccc(-c3[nH]nc4ccc(O[C@H](C)c5c(Cl)cnc(C)c5Cl)cc34)cn1)C2 | Homo sapiens | MRLLLALLGVLLSVPGPPVLSLEASEEVELEPCLAPSLEQQEQELTVALGQPVRLCCGRAERGGHWYKEGSRLAPAGRVRGWRGRLEIASFLPEDAGRYLCLARGSMIVLQNLTLITGDSLTSSNDDEDPKSHRDPSNRHSYPQQAPYWTHPQRMEKKLHAVPAGNTVKFRCPAAGNPTPTIRWLKDGQAFHGENRIGGIRLRHQHWSLVMESVVPSDRGTYTCLVENAVGSIRYNYLLDVLERSPHRPILQAGLPANTTAVVGSDVELLCKVYSDAQPHIQWLKHIVINGSSFGADGFPYVQVLKTADINSSEVEVLYL... | P22455 | kd | 662,767 | US20240109865, Example 190. | PUBCHEM:C171663641 | Fibroblast growth factor receptor 4 | 10.7270/Q2CJ8JSH | null | null | 171663641 | 496704007 | null | null | null | null | [
"6IUP",
"6IUO",
"6YI8",
"4TYJ",
"4TYI",
"4TYG",
"4TYE",
"5NWZ",
"5NUD",
"7VJL",
"8W5C",
"7YSW"
] | millimolar (mM) | -4.221849 | 0.00006 | 1991-08-01T00:00:00 |
CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccc(O)c(C(=O)OC)c1 | 554369fafb549b2202510cf335713e928eaa8dd6491b6340ef51200b7462b1e3 | CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccc(O)c(C(=O)OC)c1 | Homo sapiens | MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP | Q99714 | kd | 232,926 | US9346839, 7 | PUBCHEM:C72549954 | 3-hydroxyacyl-CoA dehydrogenase type-2 | 10.7270/Q2J1022N | null | null | 72549954 | 340093032 | null | null | null | null | [
"2O23",
"9GCH",
"9EY2",
"9EY1",
"9EY0",
"8RR4",
"8RR3",
"8RR1",
"8CBM",
"8CBL",
"8CBK",
"7ONU",
"1SO8",
"8CBO"
] | millimolar (mM) | -3.59176 | 0.000256 | 1997-11-01T00:00:00 |
Oc1c2ccccc2c2c3c(cccc13)N=N2 | 114336ae49919df2cc61071e6377130c35239f44b78c665e58e0bc93eec6afbe | Oc1c2ccccc2c2c3c(cccc13)N=N2 | Homo sapiens | MSSCVSSQPSSNRAAPQDELGGRGSSSSESQKPCEALRGLSSLSIHLGMESFIVVTECEPGCAVDLGLARDRPLEADGQEVPLDTSGSQARPHLSGRKLSLQERSQGGLAAGGSLDMNGRCICPSLPYSPVSSPQSSPRLPRRPTVESHHVSITGMQDCVQLNQYTLKDEIGKGSYGVVKLAYNENDNTYYAMKVLSKKKLIRQAGFPRRPPPRGTRPAPGGCIQPRGPIEQVYQEIAILKKLDHPNVVKLVEVLDDPNEDHLYMVFELVNQGPVMEVPTLKPLSEDQARFYFQDLIKGIEYLHYQKIIHRDIKPSNLLV... | Q96RR4 | kd | 50,024,294 | SP-600125 | PUBCHEM:C8515 | Calcium/calmodulin-dependent protein kinase kinase 2 | 10.7270/Q2V69J3T | 15711537 | null | 8515 | 277286496 | null | null | null | null | [
"5YVC",
"5YVB",
"5YVA",
"5YV9",
"5YV8",
"2ZV2"
] | millimolar (mM) | -2.124939 | 0.0075 | 2004-12-07T00:00:00 |
C[C@@H](NC(=O)N=C(N)NCCCc1ncn[nH]1)c1ccccc1 | 6b1613c8db4168ae7b5c2ac96fc85965765f570bd020b73cef515c0fcbe9ddcc | C[C@@H](NC(=O)N=C(N)NCCCc1nc[nH]n1)c1ccccc1 | Homo sapiens | MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSW... | P20309 | kd | 50,601,574 | CHEMBL5201074 | PUBCHEM:C168290235 | Muscarinic acetylcholine receptor M3 | 10.7270/Q2MP57CT | 34110814 | null | 168290235 | 482612426 | null | null | null | null | [
"8E9W",
"8EA0",
"8E9Z",
"8E9Y"
] | millimolar (mM) | -6.920819 | 0 | 1991-02-01T00:00:00 |
O=C(Nc1ccccc1)c1cnc2[nH]c(=O)oc2c1 | 207e510a38c165fa264c08296cb8101ac54ef689162e40d057a07dfcc03e7046 | O=C(Nc1ccccc1)c1cnc2[nH]c(=O)oc2c1 | Homo sapiens | MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS... | Q96SW2 | kd | 369,204 | 2-Oxo-N-phenyl-3H-oxazolo[4,5-b]pyridine-6-carboxamide | PUBCHEM:C162354470 | Protein cereblon | 10.7270/Q2FB57RR | null | null | 162354470 | 402366000 | null | null | null | null | [
"9NWT",
"9NWS",
"9DUR",
"8TNR",
"8TNQ",
"8TNP",
"9SQ6",
"9SQ5",
"9SQ4",
"9DWW",
"9DWV",
"9Q33",
"9OUK",
"9NGT",
"9NFR",
"9NFQ",
"8D81",
"8D80",
"8D7Z",
"8D7Y",
"8D7X",
"8D7W",
"8D7V",
"8D7U",
"8CVP",
"9YA9",
"9Y61",
"9Q2D",
"9Q03",
"9DQD",
"8UH6",
"9SAI"... | millimolar (mM) | -4.619789 | 0.000024 | 2005-08-30T00:00:00 |
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCCC2)nc1 | 3aafdd044462b48409beb7868b1ec95e5da7de90d510a16f488deb5b4d7668fa | O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCCC2)nc1 | Homo sapiens | MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKIPILEVDGLTLHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAEKKQDVKEQMFNELLTYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKKVQAIPAVANWIKRRPQTKL | O60760 | kd | 50,084,260 | CHEMBL3425961 | PUBCHEM:C118736794 | Hematopoietic prostaglandin D synthase | 10.7270/Q2J9683M | 25978964 | null | 118736794 | 313083108 | null | CHEMBL3425961 | null | null | [
"6W58",
"2VD1",
"2VD0",
"2VCZ",
"2VCX",
"2VCW",
"2VCQ",
"3KXO",
"4EC0",
"7JR8",
"7JR6",
"6ZTC",
"6N4E",
"6W8H",
"4EDZ",
"5AIS",
"4EE0",
"4EDY",
"5YX1",
"5YWX",
"5YWE"
] | millimolar (mM) | -3.69897 | 0.0002 | 2000-05-30T00:00:00 |
CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)[O-])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1)C(N)=O | 47f1aab3b7e7400fbe291995b1c6b04053637643d48b6eb570cde43c19f6189e | CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)[O-])NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1)C(N)=O | Homo sapiens | MAASLPGPGSRLFRTYGAADGRRQRRPGREAAQWFPPQDRRRFFNSSGSSDASIGDPSQSDDPDDPDDPDFPGSPVRRRRRRPGGRVPKDRPSLTVTPKRWKLRARPSLTVTPRRLGLRARPPQKCSTPCGPLRLPPFPSRDSGRLSPDLSVCGQPRDGDELGISASLFSSLASPCPGSPTPRDSVISIGTSACLVAASAVPSGLHLPEVSLDRASLPCSQEEATGGAKDTRMVHQTRASLRSVLFGLMNSGTPEDSEFRADGKNMRESCCKRKLVVGNGPEGPGLSSTGKRRATGQDSCQERGLQEAVRREHQEASVPK... | Q8TF76 | kd | 224,009 | ARC-3430 | PUBCHEM:C126962022 | Serine/threonine-protein kinase haspin [470-798] | 10.7270/Q28914QN | 28181383 | null | 126962022 | 336291646 | null | null | C03803 | null | [
"9WGW",
"2WB8",
"7SQM",
"24WC",
"24UH",
"9FLT",
"2VUW",
"9FLR",
"9FLQ",
"9FLO",
"9FLC",
"9FLB",
"9B2U",
"9B2T",
"9B2S",
"8RDK",
"7OPS",
"7AVQ",
"6Z5E",
"6Z5D",
"6Z5C",
"6Z5B",
"6Z5A",
"6Z59",
"6Z58",
"6Z57",
"6Z56",
"6G38",
"6G37",
"6G36",
"6G35",
"6G34"... | millimolar (mM) | -6.740616 | 0 | 2004-03-01T00:00:00 |
COc1cc(NC(=O)c2cc3c(nc2N2CCOCC2)COC3)cc2c(C)cc(=O)[nH]c12 | c7194fd65cdbd242f5ca1e33df604ad64ccecfed4c188140df1dbfb359d23362 | COc1cc(NC(=O)c2cc3c(nc2N2CCOCC2)COC3)cc2c(C)cc(=O)[nH]c12 | Homo sapiens | MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ... | O60885 | kd | 75,824 | N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholino-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide | PUBCHEM:C169247738 | Bromodomain-containing protein 4 [58-164] | 10.7270/Q2S18792 | null | null | 169247738 | 252653020 | null | null | null | null | [
"4BJX",
"4UYD",
"9C5V",
"7FH2",
"6IN1",
"6AJZ",
"6AJY",
"6AJX",
"6AJW",
"6AJV",
"5YQX",
"7KHL",
"7KHH",
"5VOM",
"6ZCI",
"5Y8C",
"9NN5",
"8ZMB",
"8ZM8",
"8WY7",
"8WY3",
"8WXY",
"8K14",
"7YL2",
"7WL4",
"7WKY",
"7WJS",
"7V2J",
"7V1U",
"7DHS",
"5Z1T",
"5Z1S"... | millimolar (mM) | -3.755725 | 0.000175 | 2001-01-11T00:00:00 |
c1ccc(CCCN2CCCN(c3cccnc3)CC2)cc1 | 141a128b75cfe4e87dfb90e271f79762f5ef31000ab91d1733be0629d33cc92f | c1ccc(CCCN2CCCN(c3cccnc3)CC2)cc1 | Lymnaea stagnalis | MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEIL | P58154 | kd | 50,120,210 | CHEMBL3616577 | PUBCHEM:C122189567 | Acetylcholine-binding protein | 10.7270/Q2765H4R | 26301559 | null | 122189567 | 319565927 | null | CHEMBL3616577 | null | null | [
"8P1F",
"8P1E",
"8P11",
"7NDV",
"7NDP",
"4ALX",
"3WIP",
"7N43",
"5T90",
"4NZB",
"3ZDH",
"3ZDG",
"3U8N",
"3U8M",
"3U8L",
"3U8K",
"3U8J",
"1YI5",
"1UV6",
"5J5I",
"5J5H",
"5J5G",
"5J5F",
"5BP0",
"4ZRU",
"4ZR6",
"4ZK1",
"4ZJT",
"4QAC",
"4QAB",
"4QAA",
"9SG3"... | millimolar (mM) | -4.69897 | 0.00002 | 2001-06-01T00:00:00 |
Nc1nnc(-c2ccccc2)cc1-c1ccccc1 | 71367b1f50185f8b40d1984f4075f8bb77bce8156d817040ea107c4610f5dbbb | Nc1nnc(-c2ccccc2)cc1-c1ccccc1 | Homo sapiens | MSTPTDPGAMPHPGPSPGPGPSPGPILGPSPGPGPSPGSVHSMMGPSPGPPSVSHPMPTMGSTDFPQEGMHQMHKPIDGIHDKGIVEDIHCGSMKGTGMRPPHPGMGPPQSPMDQHSQGYMSPHPSPLGAPEHVSSPMSGGGPTPPQMPPSQPGALIPGDPQAMSQPNRGPSPFSPVQLHQLRAQILAYKMLARGQPLPETLQLAVQGKRTLPGLQQQQQQQQQQQQQQQQQQQQQQQPQQQPPQPQTQQQQQPALVNYNRPSGPGPELSGPSTPQKLPVPAPGGRPSPAPPAAAQPPAAAVPGPSVPQPAPGQPSPVLQ... | P51531 | kd | 50,598,935 | CHEMBL5194650 | PUBCHEM:C11770746 | Probable global transcription activator SNF2L2 | 10.7270/Q2TB1BX4 | 35930799 | null | 11770746 | 482609787 | null | null | null | null | [
"4QY4",
"5DKC",
"5DKH",
"6HAX",
"6HAY",
"6HAZ",
"7Z6L",
"7Z76",
"7Z77",
"7Z78",
"8G1P"
] | millimolar (mM) | -2.356547 | 0.0044 | 1996-10-01T00:00:00 |
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | 04664ebefcf761df980a604dbed65d4794b316d59feb035ad7084f00b0e8c8f7 | CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 | Homo sapiens | MSSLGASFVQIKFDDLQFFENCGGGSFGSVYRAKWISQDKEVAVKKLLKIEKEAEILSVLSHRNIIQFYGVILEPPNYGIVTEYASLGSLYDYINSNRSEEMDMDHIMTWATDVAKGMHYLHMEAPVKVIHRDLKSRNVVIAADGVLKICDFGASRFHNHTTHMSLVGTFPWMAPEVIQSLPVSETCDTYSYGVVLWEMLTREVPFKGLEGLQVAWLVVEKNERLTIPSSCPRSFAELLHQCWEADAKKRPSFKQIISILESMSNDTSLPDKCNSFLHNKAEWRCEIEATLERLKKLERDLSFKEQELKERERRLKMWEQ... | Q9NYL2 | kd | 25,117 | AG-013736 | PUBCHEM:C6450551 | Mitogen-activated protein kinase kinase kinase 20 | 10.7270/Q25D8S70 | 22037378 | 4AG8,4AGC,4TWP,4WA9 | 6450551 | 56374259 | null | null | null | null | [
"9RSX",
"9RPV",
"7YAZ",
"7YAW",
"6JUU",
"6JUT",
"5X5O"
] | millimolar (mM) | -2.585027 | 0.0026 | 2005-07-05T00:00:00 |
C[C@@H]1CN(c2cc(F)c(C3=CCN(CC4CC4)CC3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C | 439e40e277fd33da4d657e6a4b57b8e7d6f3859ac1a7ea9284f258ad54f5c6a0 | C[C@@H]1CN(c2cc(F)c(C3=CCN(CC4CC4)CC3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C | Homo sapiens | MATEEKKPETEAARAQPTPSSSATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAA... | P61964 | kd | 553,102 | N-[5-[1-(cyclopropylmethyl)- 3,6-dihydro-2H-pyridin-4-yl]- 4-fluoro-2-[rac-(3R,5S)- 3,4,5-trimethylpiperazin- 1-yl]phenyl]-6-oxo-4- (trifluoromethyl)-1H- pyridine-3-carboxamide | PUBCHEM:C164607914 | WD repeat-containing protein 5 | 10.7270/Q27W6GD6 | null | null | 164607914 | 469796969 | null | null | null | null | [
"9YMF",
"9YM8",
"9YLY",
"9YLE",
"9YL3",
"9IY5",
"8X3R",
"7CFQ",
"7CFP",
"7BED",
"7AXX",
"7AXU",
"7AXS",
"7AXQ",
"7AXP",
"6KIZ",
"6KIX",
"6KIW",
"6KIV",
"6KIU",
"2XL3",
"2XL2",
"2GNQ",
"8DU4",
"7UD5",
"9UOJ",
"8X3S",
"3UVO",
"3UVN",
"3UVM",
"3UVL",
"3UVK"... | millimolar (mM) | -5.127261 | 0.000007 | 2004-06-07T00:00:00 |
CCOc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5cnc6cccnn56)c4)ccc23)cn1 | 5ecc033e16b626a86a0bad124907af20ade9f2832a2ffef31c6862ca6be772bf | CCOc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5cnc6cccnn56)c4)ccc23)cn1 | null | MHRPRRRGTRPPLLALLAALLLAARGAAAQETELSVSAELVPTSSWNISSELNKDSYLTLDEPMNNITTSLGQTAELHCKVSGNPPPTIRWFKNDAPVVQEPRRLSFRSTIYGSRLRIRNLDTTDTGYFQCVATNGKEVVSSTGVLFVKFGPPPTASPGYSDEYEEDGFCQPYRGIACARFIGNRTVYMESLHMQGEIENQITAAFTMIGTSSHLSDKCSQFAIPSLCHYAFPYCDETSSVPKPRDLCRDECEILENVLCQTEYIFARSNPMILMRLKLPNCEDLPQPESPEAANCIRIGIPMADPINKNHKCYNSTGVD... | Q01973 | kd | 50,668,875 | CHEMBL6192248 | CHEMBL6192248 | Inactive tyrosine-protein kinase transmembrane receptor ROR1 | 10.7270/Q2PR81ZD | 40456695 | null | null | null | null | null | null | null | [] | millimolar (mM) | -4.522879 | 0.00003 | 2001-04-27T00:00:00 |
O=C1NC(=O)C(c2ccccc2)O1 | 008c55822818a58f2aea6e2f03560a5d2ab0720365f4dc0b14f3ae246cd6c5f6 | O=c1[nH]c(O)c(-c2ccccc2)o1 | Homo sapiens | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK | P00918 | kd | 50,240,904 | Pemoline dione | PUBCHEM:C84042 | Carbonic anhydrase 2 | 10.7270/Q28W3GFT | 28817930 | null | 84042 | 386401580 | null | null | null | null | [
"8ZWV",
"8C0Q",
"6EQU",
"9TYE",
"9SNC",
"9SNB",
"9RUZ",
"9RFO",
"9RFL",
"9RAY",
"9P0W",
"9OBJ",
"9OAM",
"9LR6",
"9LDP",
"9LDO",
"9L33",
"9L32",
"9L31",
"9L30",
"9L2Z",
"9L2Y",
"9L2X",
"9KJ5",
"9KJ4",
"9KJ3",
"9KJ2",
"9KJ1",
"9KJ0",
"9KIZ",
"9KIY",
"9KIX"... | millimolar (mM) | -2.521279 | 0.003011 | 1986-07-21T00:00:00 |
COc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1 | 82f338594280c0fb196526ddb55add318636338c8e80c398d069d92ad160de1d | COc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1 | Homo sapiens | MSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHPGDSSGDSSGLNDTFGTTPAAEYFERGVLHLHQSHGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAIDGIRAYLSVDFYRLCEASVWIDAATQVCF... | Q01959 | kd | 50,474,052 | CHEMBL40358 | PUBCHEM:C44287153 | Sodium-dependent dopamine transporter | 10.7270/Q29026JT | 11931612 | null | 44287153 | 433941317 | null | null | null | null | [
"9EO4",
"8Y2F",
"8Y2E",
"8Y2C",
"8Y2D"
] | millimolar (mM) | -3.659556 | 0.000219 | 1993-04-01T00:00:00 |
Fc1ccccc1CNc1ccc2ccccc2n1 | 598a5c07ab62af05bac67e327935f37645cbc05e3e367d492bd386d7b98e1a72 | Fc1ccccc1CNc1ccc2ccccc2n1 | Homo sapiens | MNFNTILEEILIKRSQQKKKTSPLNYKERLFVLTKSMLTYYEGRAEKKYRKGFIDVSKIKCVEIVKNDDGVIPCQNKYPFQVVHDANTLYIFAPSPQSRDLWVKKLKEEIKNNNNIMIKYHPKFWTDGSYQCCRQTEKLAPGCEKYNLFESSIRKALPPAPETKKRRPPPPIPLEEEDNSEEIVVAMYDFQAAEGHDLRLERGQEYLILEKNDVHWWRARDKYGNEGYIPSNYVTGKKSNNLDQYEWYCRNMNRSKAEQLLRSEDKEGGFMVRDSSQPGLYTVSLYTKFGGEGSSGFRHYHIKETTTSPKKYYLAEKHAF... | P42680 | kd | 50,176,313 | N-(2-fluorobenzyl)quinolin-2-amine | PUBCHEM:C29052829 | Tyrosine-protein kinase Tec | 10.7270/Q2GF0T28 | 16260132 | null | 29052829 | 104061981 | null | CHEMBL381361 | null | null | [
"2LUL"
] | millimolar (mM) | -0.681937 | 0.208 | 1995-11-01T00:00:00 |
CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1 | 980c9b8291bfe3b56561a1ebae99594e75e3a55f73105066bd99afb237fabd99 | CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1 | Homo sapiens | MSTATTVAPAGIPATPGPVNPPPPEVSNPSKPGRKTNQLQYMQNVVVKTLWKHQFAWPFYQPVDAIKLNLPDYHKIIKNPMDMGTIKKRLENNYYWSASECMQDFNTMFTNCYIYNKPTDDIVLMAQALEKIFLQKVAQMPQEEVELLPPAPKGKGRKPAAGAQSAGTQQVAAVSSVSPATPFQSVPPTVSQTPVIAATPVPTITANVTSVPVPPAAAPPPPATPIVPVVPPTPPVVKKKGVKRKADTTTPTTSAITASRSESPPPLSDPKQAKVVARRESGGRPIKPPKKDLEDGEVPQHAGKKGKLSEHLRYCDSILR... | Q15059 | kd | 50,527,569 | CHEMBL4440098 | PUBCHEM:C146047136 | Bromodomain-containing protein 3 | 10.7270/Q2V98CHS | 32208600 | null | 146047136 | 440736151 | null | null | null | null | [
"2YW5",
"7RJN",
"7RJM",
"7RJL",
"7RJK",
"7LAZ",
"7LAY",
"6QJU",
"3S91",
"2NXB",
"7R8R",
"24OS",
"9NN4",
"6ULP",
"8CV5",
"7LB4",
"7L9L",
"7L72",
"5A7C",
"3S92",
"2OO1",
"7UG5",
"7LBT",
"7TOA",
"7S3P",
"2E7N",
"8B5A",
"5HJC"
] | millimolar (mM) | -6 | 0.000001 | 2001-01-11T00:00:00 |
COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 1db46c6c71c3460e21fa53cf53f4b238c88f01f86c447d31795beb15aca7ed70 | C=c1cc(O)c(CN(C)C)c2o/c(=C\c3cccc(OC)c3)c(O)c12 | Homo sapiens | MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQ... | P08588 | kd | 50,232,760 | CHEMBL4104850 | PUBCHEM:C8073977 | Beta-1 adrenergic receptor | 10.7270/Q2WM1GNK | 28523097 | null | 8073977 | 384583224 | null | CHEMBL4104850 | null | null | [
"9L84",
"7BU7",
"7BU6"
] | millimolar (mM) | -1.350003 | 0.044668 | 1988-08-01T00:00:00 |
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccccc3C(F)(F)F)CC1)C2 | b329a2085ca0558023f52ed76bd7765b5e58266f8d4bfdf93adc545ea79ae4d1 | NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccccc3C(F)(F)F)CC1)C2 | Homo sapiens | MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTK... | P09874 | kd | 50,113,457 | CHEMBL3606002 | PUBCHEM:C50943165 | Poly [ADP-ribose] polymerase 1 | 10.7270/Q2JD4ZKF | 26222319 | null | 50943165 | 319493688 | null | CHEMBL3606002 | null | null | [
"9MJA",
"4OQB",
"4OQA",
"4OPX",
"4DQY",
"8G0H",
"7S6M",
"7S6H",
"5A00",
"4ZZZ",
"4XHU",
"6XVW",
"5HA9",
"4PJT",
"2RCW",
"1WOK",
"1UK1",
"1UK0",
"6I8T",
"6I8M",
"7S81",
"7S68",
"6M3I",
"9DMC",
"9BPY",
"8FZ1",
"8FYZ",
"8FYY",
"6NTU",
"6NRJ",
"6NRI",
"6NRH"... | millimolar (mM) | -3.387216 | 0.00041 | 1989-07-01T00:00:00 |
Cc1nnc2n1-c1sc(C#Cc3cnn(CCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c(Cc3ccccc3)c1COC2 | 96f73ccb2e5ab08e27e7d85a1f21e59c88fe7499eea226bb4bf2518db0e6ecb7 | Cc1nnc2n1-c1sc(C#Cc3cnn(CCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c(Cc3ccccc3)c1COC2 | Homo sapiens | MSTATTVAPAGIPATPGPVNPPPPEVSNPSKPGRKTNQLQYMQNVVVKTLWKHQFAWPFYQPVDAIKLNLPDYHKIIKNPMDMGTIKKRLENNYYWSASECMQDFNTMFTNCYIYNKPTDDIVLMAQALEKIFLQKVAQMPQEEVELLPPAPKGKGRKPAAGAQSAGTQQVAAVSSVSPATPFQSVPPTVSQTPVIAATPVPTITANVTSVPVPPAAAPPPPATPIVPVVPPTPPVVKKKGVKRKADTTTPTTSAITASRSESPPPLSDPKQAKVVARRESGGRPIKPPKKDLEDGEVPQHAGKKGKLSEHLRYCDSILR... | Q15059 | kd | 50,622,645 | CHEMBL5421103 | CHEMBL5421103 | Bromodomain-containing protein 3 | 10.7270/Q2HQ449Q | 37289649 | null | null | null | null | null | null | null | [
"2YW5",
"7RJN",
"7RJM",
"7RJL",
"7RJK",
"7LAZ",
"7LAY",
"6QJU",
"3S91",
"2NXB",
"7R8R",
"6ULP",
"8CV5",
"7LB4",
"7L9L",
"7L72",
"5A7C",
"3S92",
"2OO1",
"7UG5",
"7LBT",
"7TOA",
"7S3P",
"2E7N",
"8B5A",
"5HJC"
] | millimolar (mM) | -3.913699 | 0.000122 | 2001-01-11T00:00:00 |
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1 | f082ef663240efd9578ea7315ed11a4d8604057256ed73cc0fcd80559972ee0a | Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1 | Homo sapiens | MGQQVGRVGEAPGLQQPQPRGIRGSSAARPSGRRRDPAGRTTETGFNIFTQHDHFASCVEDGFEGDKTGGSSPEALHRPYGCDVEPQALNEAIRWSSKENLLGATESDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNQNGEWSEVRSKNGQGWVPSNYITPVNSLEKHSWYHGPVSRSAAEYLLSSLINGSFLVRESESSPGQLSISLRYEGRVYHYRINTTADGKVYVTAESRFSTLAELVHHHSTVADGLVTTLHYPAPKCNKPTVYGVSPIHDKWEMERTDITMKHKLGGGQYGEVYVGVWKKYSLTVAVKTLK... | P42684 | kd | 50,184,807 | (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol | PUBCHEM:C11234052 | Tyrosine-protein kinase ABL2 | 10.7270/Q25D8S70 | 22037378 | null | 11234052 | 104069124 | null | CHEMBL377300 | null | null | [
"3HMI",
"3GVU",
"2XYN",
"2HZ4",
"2HYY",
"8H7H",
"8H7F",
"5HU9"
] | millimolar (mM) | -2.744727 | 0.0018 | 1995-11-01T00:00:00 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F | 26afd4aa3804c410b7f9cd6e1e44d037be372b239dd9f8502663b438a54ba89c | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F | Homo sapiens | MGLVSSKKPDKEKPIKEKDKGQWSPLKVSAQDKDAPPLPPLVVFNHLTPPPPDEHLDEDKHFVVALYDYTAMNDRDLQMLKGEKLQVLKGTGDWWLARSLVTGREGYVPSNFVARVESLEMERWFFRSQGRKEAERQLLAPINKAGSFLIRESETNKGAFSLSVKDVTTQGELIKHYKIRCLDEGGYYISPRITFPSLQALVQHYSKKGDGLCQRLTLPCVRPAPQNPWAQDEWEIPRQSLRLVRKLGSGQFGEVWMGYYKNNMKVAIKTLKEGTMSPEAFLGEANVMKALQHERLVRLYAVVTKEPIYIVTEYMARGCL... | P51451 | kd | 25,617 | N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide | PUBCHEM:C24180719 | Tyrosine-protein kinase Blk | 10.7270/Q25D8S70 | 22037378 | null | 24180719 | 56412907 | null | null | null | null | [] | millimolar (mM) | -2.958607 | 0.0011 | 1996-10-01T00:00:00 |
NCCc1c[nH]c2ccc(C(N)=O)cc12 | 50c6b35119f868de42ce8859e3e7af983bd0614580bf47252ad110fab1e1a593 | NCCc1c[nH]c2ccc(C(N)=O)cc12 | Rattus norvegicus | MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFF... | P08909 | kd | 21,392 | [3H]-5-carboxamidotryptamine | PUBCHEM:C1809 | 5-hydroxytryptamine receptor 2C | 10.7270/Q2JS9SNZ | 8515429 | 7UM5,7X5H,7XTC,9W6W | 1809 | 49689464 | null | CHEMBL1256863CHEMBL18840 | null | null | [] | millimolar (mM) | -3.199971 | 0.000631 | 1988-11-01T00:00:00 |
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 | 2fd10ed7d65e66bfe21b3b46ec7b33f09fc61af42c2c47d50a4997224d3e15e8 | COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 | Homo sapiens | MSAAVTAGKLARAPADPGKAGVPGVAAPGAPAAAPPAKEIPEVLVDPRSRRRYVRGRFLGKGGFAKCFEISDADTKEVFAGKIVPKSLLLKPHQREKMSMEISIHRSLAHQHVVGFHGFFEDNDFVFVVLELCRRRSLLELHKRRKALTEPEARYYLRQIVLGCQYLHRNRVIHRDLKLGNLFLNEDLEVKIGDFGLATKVEYDGERKKTLCGTPNYIAPEVLSKKGHSFEVDVWSIGCIMYTLLVGKPPFETSCLKETYLRIKKNEYSIPKHINPVAASLIQKMLQTDPTARPTINELLNDEFFTSGYIPARLPITCLT... | P53350 | kd | 482,158 | TAE684 | PUBCHEM:C16038120 | Serine/threonine-protein kinase PLK1 | 10.7270/Q25D8S70 | 22037378 | 2XB7,4E93,5JZN | 16038120 | 443551321 | null | null | null | null | [
"9R8C",
"9R8B",
"2V5Q",
"4A4O",
"4A4L",
"3KB7",
"2YAC",
"4J53",
"4J52",
"1Q4K",
"3BZI",
"2OJX",
"2OGQ",
"8S31",
"8S30",
"6GY2",
"4HCO",
"4H71",
"4H5X",
"4DFW",
"3HIK",
"1UMW",
"1Q4O",
"4O56",
"4LKM",
"4RCP",
"4HY2",
"8JOY",
"8JOQ",
"8WFP",
"5NN2",
"4E9D"... | millimolar (mM) | -4.69897 | 0.00002 | 1996-10-01T00:00:00 |
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