PDBID stringlengths 4 4 | Resolution stringlengths 1 13 | Year int64 1.98k 2.02k | Ligand Name stringlengths 1 7 | Ligand Chain stringclasses 53
values | Ligand Residue Number stringlengths 1 9 | Binding Affinity Measurement stringclasses 4
values | Binding Affinity Sign stringclasses 6
values | Binding Affinity Value float64 0 500M | Binding Affinity Unit stringclasses 6
values | Log Binding Affinity float64 -14 2.97 ⌀ | Binding Affinity Source stringclasses 3
values | Binding Affinity Annotation stringlengths 6 72 | Protein UniProtID stringlengths 6 55 ⌀ | Protein UniProtName stringlengths 2 575 ⌀ | Ligand SMILES stringlengths 4 352 | Ligand MW float64 44 1.82k | Ligand LogP float64 -23.01 13.7 | Ligand TPSA float64 0 786 | Ligand NumRotBond int64 0 59 | Ligand NumHeavyAtoms int64 3 120 | Ligand NumHDon int64 0 30 | Ligand NumHAcc int64 0 56 | Ligand QED float64 0.01 0.95 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
6ee2 | 2.1 | 2,018 | J1V | D | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7 | Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | E | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7 | Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | F | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7 | Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | G | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7,W4I9J7 | Pf-M17,Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | H | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7,W4I9J7 | Pf-M17,Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | I | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7 | Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | J | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7 | Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | K | 703 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7,W4I9J7 | Pf-M17,Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee2 | 2.1 | 2,018 | J1V | L | 704 | ki | = | 195 | nM | -6.709965 | MOAD | Ki=195.0nM | W4I9J7,W4I9J7 | Pf-M17,Pf-M17 | O=C(N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCCC1 | 406.404 | 4.0139 | 78.43 | 5 | 29 | 3 | 3 | 0.398829 |
6ee3 | 1.82 | 2,018 | J4V | A | 1102 | ki | = | 137 | nM | -6.863279 | MOAD | Ki=137.0nM | O96935 | M1 family aminopeptidase | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6ee4 | 1.58 | 2,018 | J4S | A | 1102 | ki | = | 202 | nM | -6.694649 | MOAD | Ki=202.0nM | O96935 | M1 family aminopeptidase | O=C(CC1CC1)N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 378.35 | 3.2337 | 78.43 | 6 | 27 | 3 | 3 | 0.41028 |
6ee6 | 1.5 | 2,018 | J4P | A | 1102 | ki | = | 216 | nM | -6.665546 | MOAD | Ki=216.0nM | O96935 | M1 family aminopeptidase | O=C(CC1CCCC1)N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 406.404 | 4.0139 | 78.43 | 6 | 29 | 3 | 3 | 0.385317 |
6eea | 1.63 | 2,018 | J3V | A | 303 | ki | = | 0.2 | uM | -6.69897 | MOAD | Ki=0.2uM | P00918 | Carbonic anhydrase 2 | NS(=O)(=O)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c([N+](=O)[O-])c1 | 420.325 | 2.6106 | 164.66 | 4 | 28 | 4 | 6 | 0.337163 |
6eea | 1.63 | 2,018 | J3V | A | 302 | ki | = | 0.2 | uM | -6.69897 | MOAD | Ki=0.2uM | P00918 | Carbonic anhydrase 2 | NS(=O)(=O)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c([N+](=O)[O-])c1 | 420.325 | 2.6106 | 164.66 | 4 | 28 | 4 | 6 | 0.337163 |
6eeb | 1.96 | 2,019 | J6P | A | 201 | kd | = | 5 | uM | -5.30103 | MOAD | Kd=5.0uM | P0DP23 | Calmodulin-1 | CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23C[N@@H+]4CCC[C@]4(C[C@@H]12)C(=O)N3 | 405.349 | 2.6144 | 49.33 | 0 | 27 | 3 | 1 | 0.620319 |
6eed | 1.5 | 2,018 | J6A | A | 1102 | ki | = | 812 | nM | -6.090444 | MOAD | Ki=812.0nM | O96935 | M1 family aminopeptidase | O=C(CC1CCCCC1)N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 420.431 | 4.404 | 78.43 | 6 | 30 | 3 | 3 | 0.368174 |
6eee | 2.3 | 2,018 | J4V | A | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | B | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | C | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | D | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | E | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | F | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | G | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | H | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | I | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | J | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | K | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eee | 2.3 | 2,018 | J4V | L | 1001 | ki | = | 28.9 | nM | -7.539102 | MOAD | Ki=28.9nM | A0A0L7KHE6,A0A0L7KHE6 | M17 LEUCYL-AMINOPEPTIDASE,M17 LEUCYL-AMINOPEPTIDASE | O=C(NO)[C@H](NC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 | 458.48 | 4.5059 | 78.43 | 5 | 33 | 3 | 3 | 0.350647 |
6eeo | 1.719 | 2,018 | J6V | A | 302 | ki | = | 0.37 | uM | -6.431798 | MOAD | Ki=0.37uM | P00918 | Carbonic anhydrase 2 | Cc1cc(NC(=O)Nc2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2O)ccc1F | 384.345 | 2.03932 | 164.66 | 4 | 26 | 4 | 6 | 0.357625 |
6efj | 1.65 | 2,019 | O5E | A | 303 | ki | = | 477 | uM | -3.321482 | MOAD | Ki=477.0uM | C7C422 | Metallo-beta-lactamase type 2 | O=C(Nc1nnn[nH]1)[C@H](Nc1ccccc1)c1ccccc1 | 294.318 | 1.9916 | 95.59 | 5 | 22 | 3 | 5 | 0.668557 |
6eg9 | 2.414 | 2,019 | 0LI | A | 501 | ic50 | = | 66.9 | nM | -7.174574 | MOAD | ic50=66.9nM | Q9NWZ3 | Interleukin-1 receptor-associated kinase 4 | Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 533.578 | 3.03892 | 66.97 | 4 | 39 | 2 | 5 | 0.396158 |
6eg9 | 2.414 | 2,019 | 0LI | B | 501 | ic50 | = | 66.9 | nM | -7.174574 | MOAD | ic50=66.9nM | Q9NWZ3 | Interleukin-1 receptor-associated kinase 4 | Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 533.578 | 3.03892 | 66.97 | 4 | 39 | 2 | 5 | 0.396158 |
6ehh | 2.4 | 2,018 | 2GE | A | 201 | ic50 | = | 32 | nM | -7.49485 | MOAD | ic50=32.0nM | P53368,P53368 | 7,8-dihydro-8-oxoguanine triphosphatase,7,8-dihydro-8-oxoguanine triphosphatase | Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1 | 295.173 | 3.6069 | 63.83 | 3 | 19 | 2 | 4 | 0.907634 |
6ehh | 2.4 | 2,018 | 2GE | B | 201 | ic50 | = | 32 | nM | -7.49485 | MOAD | ic50=32.0nM | P53368 | 7,8-dihydro-8-oxoguanine triphosphatase | Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1 | 295.173 | 3.6069 | 63.83 | 3 | 19 | 2 | 4 | 0.907634 |
6ehh | 2.4 | 2,018 | 2GE | C | 201 | ic50 | = | 32 | nM | -7.49485 | MOAD | ic50=32.0nM | P53368 | 7,8-dihydro-8-oxoguanine triphosphatase | Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1 | 295.173 | 3.6069 | 63.83 | 3 | 19 | 2 | 4 | 0.907634 |
6ehh | 2.4 | 2,018 | 2GE | D | 201 | ic50 | = | 32 | nM | -7.49485 | MOAD | ic50=32.0nM | P53368,P53368 | 7,8-dihydro-8-oxoguanine triphosphatase,7,8-dihydro-8-oxoguanine triphosphatase | Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1 | 295.173 | 3.6069 | 63.83 | 3 | 19 | 2 | 4 | 0.907634 |
6ehk | 1.4 | 2,018 | AUW | A | 403 | ic50 | = | 7,000 | nM | -5.154902 | BindingDB | IC50=7000nM | P68400 | Casein kinase II subunit alpha | CCc1ccccc1-c1c(Cl)cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1Cl | 425.383 | 5.4052 | 45.29 | 7 | 29 | 2 | 1 | 0.382573 |
6ehk | 1.4 | 2,018 | 54G | A | 404 | kd | = | 58,000 | nM | -4.236572 | BindingDB | Kd=58000nM | P68400 | Casein kinase II subunit alpha | Cc1ccc(O)c(C(=O)[O-])c1 | 151.141 | 0.06412 | 60.36 | 1 | 11 | 1 | 3 | 0.617139 |
6ei5 | 2.2 | 2,018 | B5Q | A | 301 | kd | = | 3.83 | nM | -8.416801 | MOAD | Kd=3.83nM | P07900 | Heat shock protein HSP 90-alpha | C[NH2+]Cc1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1 | 410.501 | 2.7282 | 88.72 | 4 | 31 | 2 | 4 | 0.541448 |
6eif | 2.22 | 2,018 | B5T | A | 501 | ki | = | 104 | nM | -6.982967 | MOAD | Ki=104.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | NS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1 | 350.403 | 2.9393 | 101.73 | 3 | 25 | 2 | 4 | 0.592857 |
6eif | 2.22 | 2,018 | B5T | B | 501 | ki | = | 104 | nM | -6.982967 | MOAD | Ki=104.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | NS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1 | 350.403 | 2.9393 | 101.73 | 3 | 25 | 2 | 4 | 0.592857 |
6eif | 2.22 | 2,018 | B5T | C | 501 | ki | = | 104 | nM | -6.982967 | MOAD | Ki=104.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | NS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1 | 350.403 | 2.9393 | 101.73 | 3 | 25 | 2 | 4 | 0.592857 |
6eif | 2.22 | 2,018 | B5T | D | 501 | ki | = | 104 | nM | -6.982967 | MOAD | Ki=104.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | NS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1 | 350.403 | 2.9393 | 101.73 | 3 | 25 | 2 | 4 | 0.592857 |
6eij | 2.42 | 2,018 | B5Z | A | 501 | ki | = | 1,680 | nM | -5.774691 | MOAD | Ki=1680.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=C(NCC[NH+]1CCOCC1)Nc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1 | 467.575 | 1.7434 | 109.68 | 7 | 33 | 4 | 6 | 0.423279 |
6eij | 2.42 | 2,018 | B5Z | B | 501 | ki | = | 1,680 | nM | -5.774691 | MOAD | Ki=1680.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=C(NCC[NH+]1CCOCC1)Nc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1 | 467.575 | 1.7434 | 109.68 | 7 | 33 | 4 | 6 | 0.423279 |
6eij | 2.42 | 2,018 | B5Z | C | 501 | ki | = | 1,680 | nM | -5.774691 | MOAD | Ki=1680.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=C(NCC[NH+]1CCOCC1)Nc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1 | 467.575 | 1.7434 | 109.68 | 7 | 33 | 4 | 6 | 0.423279 |
6eij | 2.42 | 2,018 | B5Z | D | 501 | ki | = | 1,680 | nM | -5.774691 | MOAD | Ki=1680.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=C(NCC[NH+]1CCOCC1)Nc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1 | 467.575 | 1.7434 | 109.68 | 7 | 33 | 4 | 6 | 0.423279 |
6eil | 2.465 | 2,018 | B6B | A | 501 | ki | >= | 2,800 | nM | -5.552842 | BindingDB | Ki=>2800nM,IC50=>6000nM | Q13627 | DYRK1A | COc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1 | 321.34 | 1.9426 | 117.01 | 4 | 24 | 2 | 7 | 0.556721 |
6eil | 2.465 | 2,018 | B6B | B | 501 | ki | >= | 2,800 | nM | -5.552842 | BindingDB | Ki=>2800nM,IC50=>6000nM | Q13627 | DYRK1A | COc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1 | 321.34 | 1.9426 | 117.01 | 4 | 24 | 2 | 7 | 0.556721 |
6eil | 2.465 | 2,018 | B6B | D | 501 | ki | >= | 2,800 | nM | -5.552842 | BindingDB | Ki=>2800nM,IC50=>6000nM | Q13627 | DYRK1A | COc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1 | 321.34 | 1.9426 | 117.01 | 4 | 24 | 2 | 7 | 0.556721 |
6eip | 2.56 | 2,018 | B7B | A | 501 | ki | = | 2,015 | nM | -5.695725 | BindingDB | Ki=2015nM,IC50=4200nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CN1C(=O)[C@H]2CCC[C@H]2N(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3)ncc21 | 420.517 | 3.2132 | 104.45 | 4 | 31 | 2 | 6 | 0.787011 |
6eip | 2.56 | 2,018 | B7B | B | 501 | ki | = | 2,015 | nM | -5.695725 | BindingDB | Ki=2015nM,IC50=4200nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CN1C(=O)[C@H]2CCC[C@H]2N(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3)ncc21 | 420.517 | 3.2132 | 104.45 | 4 | 31 | 2 | 6 | 0.787011 |
6eip | 2.56 | 2,018 | B7B | C | 501 | ki | = | 2,015 | nM | -5.695725 | BindingDB | Ki=2015nM,IC50=4200nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CN1C(=O)[C@H]2CCC[C@H]2N(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3)ncc21 | 420.517 | 3.2132 | 104.45 | 4 | 31 | 2 | 6 | 0.787011 |
6eip | 2.56 | 2,018 | B7B | D | 501 | ki | = | 2,015 | nM | -5.695725 | BindingDB | Ki=2015nM,IC50=4200nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CN1C(=O)[C@H]2CCC[C@H]2N(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3)ncc21 | 420.517 | 3.2132 | 104.45 | 4 | 31 | 2 | 6 | 0.787011 |
6eiq | 2.3 | 2,018 | B6Z | A | 501 | ki | = | 383 | nM | -6.416801 | MOAD | Ki=383.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)c(C(=O)c2ccccc2)s1 | 424.55 | 2.0432 | 84.92 | 6 | 30 | 3 | 7 | 0.525419 |
6eiq | 2.3 | 2,018 | B6Z | B | 501 | ki | = | 383 | nM | -6.416801 | MOAD | Ki=383.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)c(C(=O)c2ccccc2)s1 | 424.55 | 2.0432 | 84.92 | 6 | 30 | 3 | 7 | 0.525419 |
6eiq | 2.3 | 2,018 | B6Z | C | 501 | ki | = | 383 | nM | -6.416801 | MOAD | Ki=383.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)c(C(=O)c2ccccc2)s1 | 424.55 | 2.0432 | 84.92 | 6 | 30 | 3 | 7 | 0.525419 |
6eiq | 2.3 | 2,018 | B6Z | D | 501 | ki | = | 383 | nM | -6.416801 | MOAD | Ki=383.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)c(C(=O)c2ccccc2)s1 | 424.55 | 2.0432 | 84.92 | 6 | 30 | 3 | 7 | 0.525419 |
6eir | 2.4 | 2,018 | B6H | A | 501 | ki | = | 575 | nM | -6.240332 | MOAD | Ki=575.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CCC(=O)Nc1ccc(C(=O)c2sc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc2N)cc1 | 495.629 | 2.3917 | 114.02 | 8 | 35 | 4 | 8 | 0.354962 |
6eir | 2.4 | 2,018 | B6H | B | 501 | ki | = | 575 | nM | -6.240332 | MOAD | Ki=575.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CCC(=O)Nc1ccc(C(=O)c2sc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc2N)cc1 | 495.629 | 2.3917 | 114.02 | 8 | 35 | 4 | 8 | 0.354962 |
6eir | 2.4 | 2,018 | B6H | C | 501 | ki | = | 575 | nM | -6.240332 | MOAD | Ki=575.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CCC(=O)Nc1ccc(C(=O)c2sc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc2N)cc1 | 495.629 | 2.3917 | 114.02 | 8 | 35 | 4 | 8 | 0.354962 |
6eir | 2.4 | 2,018 | B6H | D | 501 | ki | = | 575 | nM | -6.240332 | MOAD | Ki=575.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | CCC(=O)Nc1ccc(C(=O)c2sc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc2N)cc1 | 495.629 | 2.3917 | 114.02 | 8 | 35 | 4 | 8 | 0.354962 |
6eis | 2.36 | 2,018 | B6N | A | 501 | ki | = | 252 | nM | -6.598599 | MOAD | Ki=252.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F | 424.357 | 5.0869 | 63.57 | 2 | 31 | 1 | 4 | 0.317326 |
6eis | 2.36 | 2,018 | B6N | B | 501 | ki | = | 252 | nM | -6.598599 | MOAD | Ki=252.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F | 424.357 | 5.0869 | 63.57 | 2 | 31 | 1 | 4 | 0.317326 |
6eis | 2.36 | 2,018 | B6N | C | 501 | ki | = | 252 | nM | -6.598599 | MOAD | Ki=252.0nM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F | 424.357 | 5.0869 | 63.57 | 2 | 31 | 1 | 4 | 0.317326 |
6eis | 2.36 | 2,018 | B6N | D | 501 | ki | = | 252 | nM | -6.598599 | MOAD | Ki=252.0nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F | 424.357 | 5.0869 | 63.57 | 2 | 31 | 1 | 4 | 0.317326 |
6eix | 2.3 | 2,017 | A3F | A | 601 | ic50 | = | 35 | nM | -7.455932 | BindingDB | IC50=35nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cc(-c3cccc(O)c3)cnc2N)cc(OC)c1OC | 352.39 | 3.7292 | 86.83 | 5 | 26 | 2 | 6 | 0.727493 |
6eiz | 1.85 | 2,018 | FOF | F | 101 | ki | = | 0.6 | uM | -6.221849 | MOAD | Ki=0.6uM | null | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CO | 222.372 | 4.3979 | 20.23 | 7 | 16 | 1 | 1 | 0.63303 |
6ej2 | 1.46 | 2,018 | B7E | A | 901 | ki | = | 16 | nM | -7.79588 | MOAD | Ki=16.0nM | P56817 | Beta-secretase 1 | CO[C@H]1CC[C@@]2(Cc3ccc(-c4cncnc4)cc3[C@@]23COC(N)=[NH+]3)C[C@@H]1C | 379.484 | 1.1419 | 84.23 | 2 | 28 | 2 | 5 | 0.817578 |
6ej3 | 1.94 | 2,018 | B7T | A | 501 | ki | = | 1,179 | nM | -5.928486 | MOAD | Ki=1179.0nM | P56817 | Beta-secretase 1 | CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21COC(N)=[NH+]1 | 378.496 | 1.80932 | 71.34 | 2 | 28 | 2 | 4 | 0.836145 |
6ej4 | 2.88 | 2,018 | B7W | A | 501 | ki | = | 158 | nM | -6.801343 | BindingDB | IC50=329nM,Ki=158nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Nc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1 | 286.338 | 3.8741 | 67.59 | 2 | 22 | 2 | 3 | 0.549514 |
6ej4 | 2.88 | 2,018 | B7W | B | 501 | ki | = | 158 | nM | -6.801343 | BindingDB | IC50=329nM,Ki=158nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Nc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1 | 286.338 | 3.8741 | 67.59 | 2 | 22 | 2 | 3 | 0.549514 |
6ej4 | 2.88 | 2,018 | B7W | C | 501 | ki | = | 158 | nM | -6.801343 | BindingDB | IC50=329nM,Ki=158nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Nc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1 | 286.338 | 3.8741 | 67.59 | 2 | 22 | 2 | 3 | 0.549514 |
6ej4 | 2.88 | 2,018 | B7W | D | 501 | ki | = | 158 | nM | -6.801343 | BindingDB | IC50=329nM,Ki=158nM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Nc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1 | 286.338 | 3.8741 | 67.59 | 2 | 22 | 2 | 3 | 0.549514 |
6eji | 2.3 | 2,018 | UD2 | A | 401 | ic50 | = | 303 | uM | -3.518557 | MOAD | ic50=303.0uM | O86151,O86151 | WlaC protein,WlaC protein | CC(=O)N[C@H]1[C@@H](O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O | 605.339 | -5.9139 | 311.52 | 10 | 39 | 7 | 18 | 0.122071 |
6eji | 2.3 | 2,018 | UD2 | B | 401 | ic50 | = | 303 | uM | -3.518557 | MOAD | ic50=303.0uM | O86151 | WlaC protein | CC(=O)N[C@H]1[C@@H](O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O | 605.339 | -5.9139 | 311.52 | 10 | 39 | 7 | 18 | 0.122071 |
6ek6 | 2.05 | 2,018 | 90V | A | 804 | ic50 | = | 56 | nM | -7.251812 | BindingDB | IC50=56nM | Q9UGL1 | Lysine-specific demethylase 5B,Lysine-specific demethylase 5B | CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)C2)[nH]n1 | 290.367 | 1.2738 | 78.09 | 4 | 21 | 2 | 3 | 0.876381 |
6ekd | 2.1 | 2,018 | B9K | A | 503 | ic50 | = | 184 | nM | -6.735182 | MOAD | ic50=184.0nM | P53779 | Mitogen-activated protein kinase 10 | CSc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)[nH]1 | 381.505 | 4.08222 | 66.07 | 5 | 27 | 2 | 6 | 0.649328 |
6ekn | 1.2 | 2,018 | B9N | A | 306 | ic50 | = | 510 | nM | -6.29243 | BindingDB | IC50=510nM | P39900 | Macrophage metalloelastase | COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cc1 | 452.484 | 1.5586 | 123.63 | 9 | 32 | 0 | 7 | 0.482511 |
6ekq | 1.65 | 2,018 | B0H | A | 801 | kd | = | 10.9 | uM | -4.962574 | MOAD | Kd=10.9uM | P55201 | Peregrin | Cc1nc(C)c(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)o1 | 349.48 | 2.06104 | 72.46 | 4 | 24 | 2 | 5 | 0.886186 |
6ekq | 1.65 | 2,018 | B0H | B | 801 | kd | = | 10.9 | uM | -4.962574 | MOAD | Kd=10.9uM | P55201 | Peregrin | Cc1nc(C)c(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)o1 | 349.48 | 2.06104 | 72.46 | 4 | 24 | 2 | 5 | 0.886186 |
6eks | 1.87 | 2,017 | G39 | A | 908 | ic50 | = | 144 | uM | -3.841638 | MOAD | ic50=144.0uM | P0C6E9 | Sialidase | CCC(CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O | 284.356 | -1.2446 | 106.1 | 6 | 20 | 2 | 4 | 0.635667 |
6eku | 1.75 | 2,017 | ZMR | A | 901 | ic50 | = | 52 | uM | -4.283997 | MOAD | ic50=52.0uM | P0C6E9 | Sialidase | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+] | 332.313 | -6.7302 | 202.79 | 6 | 23 | 7 | 7 | 0.18204 |
6el5 | 1.67 | 2,018 | PU1 | A | 301 | kd | = | 0 | M | -7.19382 | MOAD | Kd=6.4e-08M | P07900 | Heat shock protein HSP 90-alpha | C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc21 | 433.871 | 3.231 | 97.31 | 8 | 30 | 1 | 8 | 0.330614 |
6el6 | 2.4 | 2,018 | B9Q | A | 802 | ic50 | = | 6.3 | nM | -8.200659 | MOAD | ic50=6.3nM | P04150 | Glucocorticoid receptor | COc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C2CC2)cn1 | 460.509 | 4.603 | 78.27 | 8 | 34 | 1 | 6 | 0.415748 |
6el7 | 2.18 | 2,018 | B9T | A | 802 | ic50 | = | 2.4 | nM | -8.619789 | BindingDB | EC50=6.4nM,IC50=2.4nM | P04150 | Glucocorticoid receptor | C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(C#N)cc1Br)c1cnc(C2CC2)nc1 | 465.298 | 4.26818 | 87.9 | 7 | 29 | 1 | 5 | 0.660258 |
6el9 | 2.19 | 2,018 | B9W | A | 802 | ic50 | = | 3.8 | nM | -8.420216 | MOAD | ic50=3.8nM | P04150 | Glucocorticoid receptor | CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1 | 494.542 | 4.6403 | 78.15 | 8 | 36 | 1 | 6 | 0.387191 |
6ela | 1.485 | 2,018 | B9Z | A | 306 | ic50 | = | 26 | nM | -7.585027 | BindingDB | IC50=26nM | P39900,P39900 | Macrophage metalloelastase,Macrophage metalloelastase | COc1ccc(-c2ccc(Sc3ccccc3[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cc1 | 420.486 | 2.877 | 89.49 | 9 | 30 | 0 | 6 | 0.528819 |
6ela | 1.485 | 2,018 | B9Z | B | 306 | ic50 | = | 26 | nM | -7.585027 | BindingDB | IC50=26nM | P39900,P39900 | Macrophage metalloelastase,Macrophage metalloelastase | COc1ccc(-c2ccc(Sc3ccccc3[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cc1 | 420.486 | 2.877 | 89.49 | 9 | 30 | 0 | 6 | 0.528819 |
6ela | 1.485 | 2,018 | B9Z | C | 307 | ic50 | = | 26 | nM | -7.585027 | BindingDB | IC50=26nM | P39900,P39900 | Macrophage metalloelastase,Macrophage metalloelastase | COc1ccc(-c2ccc(Sc3ccccc3[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cc1 | 420.486 | 2.877 | 89.49 | 9 | 30 | 0 | 6 | 0.528819 |
6ela | 1.485 | 2,018 | B9Z | D | 306 | ic50 | = | 26 | nM | -7.585027 | BindingDB | IC50=26nM | P39900,P39900 | Macrophage metalloelastase,Macrophage metalloelastase | COc1ccc(-c2ccc(Sc3ccccc3[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cc1 | 420.486 | 2.877 | 89.49 | 9 | 30 | 0 | 6 | 0.528819 |
6eln | 1.6 | 2,018 | P4A | A | 301 | kd | = | 0 | M | -7.19382 | MOAD | Kd=6.4e-08M | P07900 | Heat shock protein HSP 90-alpha | COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1 | 296.326 | 3.47192 | 78.37 | 3 | 22 | 3 | 4 | 0.691219 |
6elo | 1.8 | 2,018 | BAW | A | 301 | kd | = | 0 | M | -7.19382 | MOAD | Kd=6.4e-08M | P07900 | Heat shock protein HSP 90-alpha | CCc1cc(-c2[nH]nc(C)c2-c2ccccc2F)c(O)cc1O | 312.344 | 4.16482 | 69.14 | 3 | 23 | 3 | 3 | 0.679765 |
6elp | 1.85 | 2,018 | BA8 | A | 301 | kd | = | 0 | M | -7.19382 | MOAD | Kd=6.4e-08M | P07900 | Heat shock protein HSP 90-alpha | Oc1cc(O)c(-c2ccnn2-c2ccccc2Cl)cc1CCc1ccccn1 | 391.858 | 4.7841 | 71.17 | 5 | 28 | 2 | 5 | 0.513043 |
6elr | 1.8 | 2,018 | BFK | A | 1201 | ic50 | <= | 3 | nM | -8.522879 | BindingDB | IC50=<3.0nM,EC50=99nM | P23458 | Tyrosine-Protein Kinase JAK1 | Cc1cnc(Nc2cc(N3CC[NH+](C)CC3)cc(S(C)(=O)=O)c2)nc1Nc1cccc(CO)c1 | 483.618 | 1.50272 | 111.89 | 7 | 34 | 4 | 8 | 0.400174 |
6elr | 1.8 | 2,018 | BFK | B | 1201 | ic50 | <= | 3 | nM | -8.522879 | BindingDB | IC50=<3.0nM,EC50=99nM | P23458 | Tyrosine-Protein Kinase JAK1 | Cc1cnc(Nc2cc(N3CC[NH+](C)CC3)cc(S(C)(=O)=O)c2)nc1Nc1cccc(CO)c1 | 483.618 | 1.50272 | 111.89 | 7 | 34 | 4 | 8 | 0.400174 |
6emh | 1.76 | 2,018 | BGE | A | 504 | ic50 | = | 833 | nM | -6.079355 | MOAD | ic50=833.0nM | P53779 | Mitogen-activated protein kinase 10 | Cc1nc[nH]c1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)c1 | 335.411 | 3.36032 | 66.07 | 4 | 25 | 2 | 5 | 0.765198 |
6emh | 1.76 | 2,018 | BGE | B | 502 | ic50 | = | 833 | nM | -6.079355 | MOAD | ic50=833.0nM | P53779 | Mitogen-activated protein kinase 10 | Cc1nc[nH]c1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)c1 | 335.411 | 3.36032 | 66.07 | 4 | 25 | 2 | 5 | 0.765198 |
6emh | 1.76 | 2,018 | BGE | C | 503 | ic50 | = | 833 | nM | -6.079355 | MOAD | ic50=833.0nM | P53779,P53779 | Mitogen-activated protein kinase 10,Mitogen-activated protein kinase 10 | Cc1nc[nH]c1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)c1 | 335.411 | 3.36032 | 66.07 | 4 | 25 | 2 | 5 | 0.765198 |
6emh | 1.76 | 2,018 | BGE | D | 503 | ic50 | = | 833 | nM | -6.079355 | MOAD | ic50=833.0nM | P53779 | Mitogen-activated protein kinase 10 | Cc1nc[nH]c1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)c1 | 335.411 | 3.36032 | 66.07 | 4 | 25 | 2 | 5 | 0.765198 |
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