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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5nkb | 1.5 | 2,017 | 8ZT | A | 1001 | kd | = | 0.759 | nM | -9.119758 | MOAD | Kd=0.759nM | P29317 | Ephrin type-A receptor 2 | Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)s1 | 514.051 | 4.77402 | 78.96 | 6 | 35 | 2 | 8 | 0.491029 |
5nkc | 1.448 | 2,017 | 90T | A | 1001 | kd | = | 18.62 | nM | -7.73002 | MOAD | Kd=18.62nM | P29317 | Ephrin type-A receptor 2 | Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2)s1 | 483.957 | 3.31282 | 114.46 | 6 | 33 | 2 | 7 | 0.555552 |
5nkd | 1.408 | 2,017 | 91K | A | 1001 | kd | = | 26.3 | nM | -7.580044 | MOAD | Kd=26.3nM | P29317 | Ephrin type-A receptor 2 | Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(C(=O)N3CC[C@H](CC(=O)[O-])C3)c2)s1 | 497.984 | 3.70292 | 114.46 | 7 | 34 | 2 | 7 | 0.514046 |
5nkg | 1.1 | 2,017 | 8ZK | A | 1001 | kd | = | 20.89 | nM | -7.680062 | MOAD | Kd=20.89nM | P29317 | Ephrin type-A receptor 2 | CCc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(C(=O)NC2CC[NH2+]CC2)c1 | 499.06 | 4.11882 | 99.73 | 7 | 34 | 4 | 5 | 0.393461 |
5nkh | 1.29 | 2,017 | 8ZQ | A | 1001 | kd | = | 25.7 | nM | -7.590067 | MOAD | Kd=25.7nM | P29317 | Ephrin type-A receptor 2 | Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(C(=O)NC3CC[NH2+]CC3)cc(-c3ccccc3N)c2)s1 | 562.119 | 4.80562 | 125.75 | 7 | 39 | 5 | 6 | 0.207103 |
5nki | 1.675 | 2,017 | 8ZW | A | 1001 | kd | = | 18.62 | nM | -7.73002 | MOAD | Kd=18.62nM | P29317 | Ephrin type-A receptor 2 | Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCOCC3)cc(S(C)(=O)=O)c2)s1 | 507.037 | 4.34092 | 100.63 | 6 | 33 | 2 | 8 | 0.512474 |
5nkn | 2.2 | 2,018 | LOC | A | 201 | kd | = | 120 | pM | -9.920819 | MOAD | Kd=120.0pM | P80188 | Neutrophil gelatinase-associated lipocalin | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 | 399.443 | 2.8716 | 83.09 | 5 | 29 | 1 | 6 | 0.832522 |
5nlk | 1.8 | 2,018 | 92E | A | 1201 | kd | = | 0.035 | uM | -7.455932 | MOAD | Kd=0.035uM | Q92793 | CREB-binding protein | CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(NC(C)=O)cc(NC(=O)c2ccco2)c1 | 449.463 | 4.3439 | 126.74 | 8 | 33 | 3 | 6 | 0.439118 |
5nm5 | 2.05 | 2,017 | LOC | B | 502 | ki | = | 780 | nM | -6.107905 | BindingDB | IC50=800nM,Ki=780nM | P81947,Q6B856 | Tubulin alpha-1B chain,Tubulin beta-2B chain | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 | 399.443 | 2.8716 | 83.09 | 5 | 29 | 1 | 6 | 0.832522 |
5nn0 | 2.1 | 2,018 | 92H | A | 626 | kd | = | 11.1 | pM | -10.954677 | MOAD | Kd=11.1pM | P06276 | Cholinesterase | C[NH+](C)CCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1 | 457.662 | 1.8888 | 29.19 | 7 | 34 | 2 | 1 | 0.557577 |
5nn0 | 2.1 | 2,018 | 92H | A | 627 | kd | = | 11.1 | pM | -10.954677 | MOAD | Kd=11.1pM | P06276 | Cholinesterase | C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1 | 457.662 | 1.8888 | 29.19 | 7 | 34 | 2 | 1 | 0.557577 |
5nn4 | 1.83 | 2,017 | SC2 | A | 1016 | kd | = | 11.57 | mM | -1.936667 | MOAD | Kd=11.57mM | P10253 | Lysosomal alpha-glucosidase | CC(=O)N[C@@H](CS)C(=O)[O-] | 162.19 | -1.8292 | 69.23 | 3 | 10 | 2 | 4 | 0.479567 |
5nn4 | 1.83 | 2,017 | SC2 | A | 1017 | kd | = | 11.57 | mM | -1.936667 | MOAD | Kd=11.57mM | P10253 | Lysosomal alpha-glucosidase | CC(=O)N[C@@H](CS)C(=O)[O-] | 162.19 | -1.8292 | 69.23 | 3 | 10 | 2 | 4 | 0.479567 |
5nn5 | 2.0 | 2,017 | NOJ | A | 1016 | ki | = | 3.4 | uM | -5.468521 | MOAD | Ki=3.4uM | P10253 | Lysosomal alpha-glucosidase | OC[C@H]1[NH2+]C[C@H](O)[C@@H](O)[C@@H]1O | 164.181 | -3.993 | 97.53 | 1 | 11 | 5 | 4 | 0.272743 |
5nn6 | 2.0 | 2,017 | MIG | A | 1013 | ki | = | 3 | uM | -5.522879 | MOAD | Ki=3.0uM | P10253 | Lysosomal alpha-glucosidase | OCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO | 208.234 | -4.6792 | 105.59 | 3 | 14 | 6 | 5 | 0.279559 |
5nob | 1.85 | 2,017 | 92T | A | 1301 | ic50 | = | 0.0063 | uM | -8.200659 | MOAD | ic50=0.0063uM | Q9H2K2 | Tankyrase-2 | N#Cc1ccc2c(c1)[nH]c(=O)n2[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1 | 468.908 | 4.01108 | 118.07 | 4 | 34 | 1 | 8 | 0.425402 |
5nob | 1.85 | 2,017 | 92T | B | 1301 | ic50 | = | 0.0063 | uM | -8.200659 | MOAD | ic50=0.0063uM | Q9H2K2 | Tankyrase-2 | N#Cc1ccc2c(c1)[nH]c(=O)n2[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1 | 468.908 | 4.01108 | 118.07 | 4 | 34 | 1 | 8 | 0.425402 |
5nqb | 1.58 | 2,017 | MLI | A | 401 | ki | = | 27 | mM | -1.568636 | MOAD | Ki=27.0mM | P13491,P13491,P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)[O-] | 102.045 | -3.1237 | 80.26 | 2 | 7 | 0 | 4 | 0.345207 |
5nqb | 1.58 | 2,017 | MLI | B | 401 | ki | = | 27 | mM | -1.568636 | MOAD | Ki=27.0mM | P13491,P13491,P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)[O-] | 102.045 | -3.1237 | 80.26 | 2 | 7 | 0 | 4 | 0.345207 |
5nqb | 1.58 | 2,017 | MLI | B | 402 | ki | = | 27 | mM | -1.568636 | MOAD | Ki=27.0mM | P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)[O-] | 102.045 | -3.1237 | 80.26 | 2 | 7 | 0 | 4 | 0.345207 |
5nqb | 1.58 | 2,017 | MLI | C | 401 | ki | = | 27 | mM | -1.568636 | MOAD | Ki=27.0mM | P13491,P13491,P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)[O-] | 102.045 | -3.1237 | 80.26 | 2 | 7 | 0 | 4 | 0.345207 |
5nqb | 1.58 | 2,017 | MLI | C | 402 | ki | = | 27 | mM | -1.568636 | MOAD | Ki=27.0mM | P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)[O-] | 102.045 | -3.1237 | 80.26 | 2 | 7 | 0 | 4 | 0.345207 |
5nqb | 1.58 | 2,017 | MLI | D | 402 | ki | = | 27 | mM | -1.568636 | MOAD | Ki=27.0mM | P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)[O-] | 102.045 | -3.1237 | 80.26 | 2 | 7 | 0 | 4 | 0.345207 |
5nqb | 1.58 | 2,017 | MLI | D | 401 | ki | = | 27 | mM | -1.568636 | MOAD | Ki=27.0mM | P13491,P13491,P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)[O-] | 102.045 | -3.1237 | 80.26 | 2 | 7 | 0 | 4 | 0.345207 |
5nqq | 1.872 | 2,017 | OAA | C | 402 | ki | = | 2.3 | mM | -2.638272 | MOAD | Ki=2.3mM | P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)C(=O)[O-] | 130.055 | -3.5546 | 97.33 | 3 | 9 | 0 | 5 | 0.29067 |
5nqq | 1.872 | 2,017 | OAA | D | 402 | ki | = | 2.3 | mM | -2.638272 | MOAD | Ki=2.3mM | P13491,P13491 | L-lactate dehydrogenase A chain,L-lactate dehydrogenase A chain | O=C([O-])CC(=O)C(=O)[O-] | 130.055 | -3.5546 | 97.33 | 3 | 9 | 0 | 5 | 0.29067 |
5nqr | 2.2 | 2,018 | 958 | A | 303 | ic50 | = | 70 | nM | -7.154902 | MOAD | ic50=70.0nM | Q9UKK9,Q9UKK9 | ADP-sugar pyrophosphatase,ADP-sugar pyrophosphatase | Cc1cccc(-c2nnc(Cn3c(N(C)C)nc4c3c(=O)n(C)c(=O)n4C)o2)c1 | 395.423 | 0.90642 | 103.98 | 4 | 29 | 0 | 10 | 0.505712 |
5nqr | 2.2 | 2,018 | 958 | A | 301 | ic50 | = | 70 | nM | -7.154902 | MOAD | ic50=70.0nM | Q9UKK9,Q9UKK9 | ADP-sugar pyrophosphatase,ADP-sugar pyrophosphatase | Cc1cccc(-c2nnc(Cn3c(N(C)C)nc4c3c(=O)n(C)c(=O)n4C)o2)c1 | 395.423 | 0.90642 | 103.98 | 4 | 29 | 0 | 10 | 0.505712 |
5nqr | 2.2 | 2,018 | 958 | A | 302 | ic50 | = | 70 | nM | -7.154902 | MOAD | ic50=70.0nM | Q9UKK9,Q9UKK9 | ADP-sugar pyrophosphatase,ADP-sugar pyrophosphatase | Cc1cccc(-c2nnc(Cn3c(N(C)C)nc4c3c(=O)n(C)c(=O)n4C)o2)c1 | 395.423 | 0.90642 | 103.98 | 4 | 29 | 0 | 10 | 0.505712 |
5nr7 | 2.35 | 2,018 | YUI | A | 301 | ic50 | = | 0.95 | uM | -6.022276 | MOAD | ic50=0.95uM | P9WKE1 | Thymidylate kinase | Cc1cn([C@H]2CC[N@H+](Cc3cc(Oc4cccc(Cl)c4)c4ccccc4n3)CC2)c(=O)[nH]c1=O | 477.972 | 3.25892 | 81.42 | 5 | 34 | 2 | 5 | 0.462058 |
5nr7 | 2.35 | 2,018 | YUI | B | 301 | ic50 | = | 0.95 | uM | -6.022276 | MOAD | ic50=0.95uM | P9WKE1 | Thymidylate kinase | Cc1cn([C@H]2CC[N@H+](Cc3cc(Oc4cccc(Cl)c4)c4ccccc4n3)CC2)c(=O)[nH]c1=O | 477.972 | 3.25892 | 81.42 | 5 | 34 | 2 | 5 | 0.462058 |
5nr8 | 1.349 | 2,018 | 95N | A | 401 | ic50 | = | 175 | nM | -6.756962 | MOAD | ic50=175.0nM | Q13231 | Chitotriosidase-1 | C[N@H+](CCc1ccc(Br)cc1)C1CCN(c2nc(N)n[nH]2)CC1 | 380.314 | 0.8756 | 75.27 | 5 | 23 | 3 | 4 | 0.719995 |
5nra | 1.267 | 2,018 | 95K | A | 401 | ic50 | = | 123 | nM | -6.910095 | MOAD | ic50=123.0nM | Q13231 | Chitotriosidase-1 | CC(C)C[N@H+](CCc1ccc(Br)cc1)C1CCN(c2nnc(N)[nH]2)CC1 | 422.395 | 1.9018 | 75.27 | 7 | 26 | 3 | 4 | 0.637409 |
5nrf | 1.447 | 2,018 | 95Q | A | 401 | ic50 | = | 163 | nM | -6.787812 | MOAD | ic50=163.0nM | Q13231 | Chitotriosidase-1 | Nc1n[nH]c(N2CCC([N@@H+](CCc3ccc(Cl)cc3)Cc3ccccc3)CC2)n1 | 411.961 | 2.3369 | 75.27 | 7 | 29 | 3 | 4 | 0.557463 |
5nsp | 2.3 | 2,017 | 97E | B | 1204 | ic50 | = | 0.34 | uM | -6.468521 | MOAD | ic50=0.34uM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | N#Cc1ccc2c(c1)[nH]c(=O)n2-c1ccc(-c2nnc(-c3ccncn3)n2-c2ccccc2Cl)cc1 | 490.914 | 4.54858 | 118.07 | 4 | 36 | 1 | 8 | 0.387056 |
5nsx | 1.8 | 2,018 | 97K | A | 1204 | ic50 | = | 400 | nM | -6.39794 | MOAD | ic50=400.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc3n[nH]cc3c2)nc2ccccc12 | 262.272 | 2.4664 | 74.43 | 1 | 20 | 2 | 3 | 0.553051 |
5nsx | 1.8 | 2,018 | 97K | B | 1203 | ic50 | = | 400 | nM | -6.39794 | MOAD | ic50=400.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc3n[nH]cc3c2)nc2ccccc12 | 262.272 | 2.4664 | 74.43 | 1 | 20 | 2 | 3 | 0.553051 |
5nt0 | 1.75 | 2,018 | 97H | A | 1204 | ic50 | = | 280 | nM | -6.552842 | MOAD | ic50=280.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | Nc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1 | 237.262 | 2.1723 | 71.77 | 1 | 18 | 2 | 3 | 0.636989 |
5nt0 | 1.75 | 2,018 | 97H | B | 1204 | ic50 | = | 280 | nM | -6.552842 | MOAD | ic50=280.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | Nc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1 | 237.262 | 2.1723 | 71.77 | 1 | 18 | 2 | 3 | 0.636989 |
5nt4 | 1.9 | 2,018 | 97Z | A | 1204 | ic50 | = | 17 | nM | -7.769551 | MOAD | ic50=17.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc(N3CCOCC3)cc2)nc2ccccc12 | 307.353 | 2.4267 | 58.22 | 2 | 23 | 1 | 4 | 0.789772 |
5nt4 | 1.9 | 2,018 | 97Z | B | 1204 | ic50 | = | 17 | nM | -7.769551 | MOAD | ic50=17.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc(N3CCOCC3)cc2)nc2ccccc12 | 307.353 | 2.4267 | 58.22 | 2 | 23 | 1 | 4 | 0.789772 |
5ntk | 1.9 | 2,017 | 99N | A | 501 | ic50 | = | 9.7 | nM | -8.013228 | MOAD | ic50=9.7nM | P51449 | Nuclear receptor ROR-gamma | C[C@H](CCC(=O)NCc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C | 672.929 | 4.4374 | 118.43 | 12 | 47 | 2 | 7 | 0.19164 |
5ntk | 1.9 | 2,017 | 99N | B | 501 | ic50 | = | 9.7 | nM | -8.013228 | MOAD | ic50=9.7nM | P51449 | Nuclear receptor ROR-gamma | C[C@H](CCC(=O)NCc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C | 672.929 | 4.4374 | 118.43 | 12 | 47 | 2 | 7 | 0.19164 |
5ntp | 1.7 | 2,017 | 98E | A | 501 | ic50 | = | 0.7 | nM | -9.154902 | MOAD | ic50=0.7nM | P51449 | Nuclear receptor ROR-gamma | Cc1ncc(C(=O)Nc2cc(Cl)cc(C[N@@H+]3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1 | 471.025 | 2.80494 | 79.63 | 5 | 33 | 2 | 4 | 0.703836 |
5ntq | 2.26 | 2,017 | 444 | A | 501 | ic50 | = | 33.8 | nM | -7.471083 | MOAD | ic50=33.8nM | P51449 | Nuclear receptor ROR-gamma | O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | 481.336 | 4.7564 | 57.61 | 5 | 31 | 1 | 3 | 0.627349 |
5ntq | 2.26 | 2,017 | 444 | B | 501 | ic50 | = | 33.8 | nM | -7.471083 | MOAD | ic50=33.8nM | P51449,P51449 | Nuclear receptor ROR-gamma,Nuclear receptor ROR-gamma | O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | 481.336 | 4.7564 | 57.61 | 5 | 31 | 1 | 3 | 0.627349 |
5ntt | 2.75 | 2,017 | SVE | A | 801 | ic50 | = | 182 | nM | -6.739929 | BindingDB | IC50=182nM | P33981 | Dual specificity protein kinase TTK | CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N[C@H]4CC[N@H+](C)CC4)cc3OC(F)(F)F)nc1-2 | 677.752 | 4.4019 | 127.5 | 9 | 49 | 4 | 8 | 0.206957 |
5ntw | 1.64 | 2,017 | 98N | A | 601 | ic50 | = | 0.6 | nM | -9.221849 | MOAD | ic50=0.6nM | P51449,P51449 | Nuclear receptor ROR-gamma,Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C[N@H+](C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1 | 553.671 | 3.6645 | 93.46 | 8 | 38 | 2 | 5 | 0.520624 |
5ntw | 1.64 | 2,017 | 98N | B | 601 | ic50 | = | 0.6 | nM | -9.221849 | MOAD | ic50=0.6nM | P51449 | Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C[N@H+](C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1 | 553.671 | 3.6645 | 93.46 | 8 | 38 | 2 | 5 | 0.520624 |
5ntw | 1.64 | 2,017 | 98N | C | 601 | ic50 | = | 0.6 | nM | -9.221849 | MOAD | ic50=0.6nM | P51449,P51449 | Nuclear receptor ROR-gamma,Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C[N@H+](C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1 | 553.671 | 3.6645 | 93.46 | 8 | 38 | 2 | 5 | 0.520624 |
5ntw | 1.64 | 2,017 | 98N | D | 601 | ic50 | = | 0.6 | nM | -9.221849 | MOAD | ic50=0.6nM | P51449 | Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C[N@H+](C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1 | 553.671 | 3.6645 | 93.46 | 8 | 38 | 2 | 5 | 0.520624 |
5nu1 | 1.85 | 2,017 | 8YB | A | 601 | ic50 | = | 1 | nM | -9 | MOAD | ic50=1.0nM | P51449 | Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3ccccc3Cl)s2)cc1 | 559.496 | 6.3227 | 93.2 | 8 | 36 | 1 | 6 | 0.255109 |
5nu1 | 1.85 | 2,017 | 8YB | B | 601 | ic50 | = | 1 | nM | -9 | MOAD | ic50=1.0nM | P51449 | Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3ccccc3Cl)s2)cc1 | 559.496 | 6.3227 | 93.2 | 8 | 36 | 1 | 6 | 0.255109 |
5nu3 | 1.75 | 2,017 | 99E | A | 1201 | kd | = | 0.23 | uM | -6.638272 | MOAD | Kd=0.23uM | Q92793 | CREB-binding protein | CCc1c(C(=O)NCc2c(O)ccc3cccc(O)c23)[nH]c(C)c1C(C)=O | 366.417 | 3.58252 | 102.42 | 5 | 27 | 4 | 4 | 0.518314 |
5nu5 | 1.6 | 2,017 | 99E | A | 1201 | kd | = | 0.47 | uM | -6.327902 | MOAD | Kd=0.47uM | Q09472 | Histone acetyltransferase p300 | CCc1c(C(=O)NCc2c(O)ccc3cccc(O)c23)[nH]c(C)c1C(C)=O | 366.417 | 3.58252 | 102.42 | 5 | 27 | 4 | 4 | 0.518314 |
5nu5 | 1.6 | 2,017 | 99E | B | 1201 | kd | = | 0.47 | uM | -6.327902 | MOAD | Kd=0.47uM | Q09472 | Histone acetyltransferase p300 | CCc1c(C(=O)NCc2c(O)ccc3cccc(O)c23)[nH]c(C)c1C(C)=O | 366.417 | 3.58252 | 102.42 | 5 | 27 | 4 | 4 | 0.518314 |
5nut | 1.6 | 2,018 | 9A8 | A | 1204 | ic50 | = | 12 | nM | -7.920819 | MOAD | ic50=12.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | CC(C)Oc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 | 280.327 | 3.3773 | 54.98 | 3 | 21 | 1 | 3 | 0.799858 |
5nut | 1.6 | 2,018 | 9A8 | B | 1204 | ic50 | = | 12 | nM | -7.920819 | MOAD | ic50=12.0nM | Q9H2K2 | Tankyrase-2 | CC(C)Oc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 | 280.327 | 3.3773 | 54.98 | 3 | 21 | 1 | 3 | 0.799858 |
5nvc | 1.6 | 2,018 | 9AN | A | 1203 | ic50 | = | 650 | nM | -6.187087 | MOAD | ic50=650.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2cccc(O)c2)nc2ccccc12 | 238.246 | 2.2957 | 65.98 | 1 | 18 | 2 | 3 | 0.683199 |
5nvc | 1.6 | 2,018 | 9AN | B | 1203 | ic50 | = | 650 | nM | -6.187087 | MOAD | ic50=650.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2cccc(O)c2)nc2ccccc12 | 238.246 | 2.2957 | 65.98 | 1 | 18 | 2 | 3 | 0.683199 |
5nve | 1.5 | 2,018 | 9AQ | A | 1204 | ic50 | = | 35 | nM | -7.455932 | MOAD | ic50=35.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 | 266.3 | 2.9888 | 54.98 | 3 | 20 | 1 | 3 | 0.792505 |
5nve | 1.5 | 2,018 | 9AQ | B | 1204 | ic50 | = | 35 | nM | -7.455932 | MOAD | ic50=35.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 | 266.3 | 2.9888 | 54.98 | 3 | 20 | 1 | 3 | 0.792505 |
5nvf | 1.55 | 2,018 | 9AW | A | 1204 | ic50 | = | 16 | nM | -7.79588 | MOAD | ic50=16.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc(-c3ccccn3)cc2)nc2ccccc12 | 299.333 | 3.6521 | 58.64 | 2 | 23 | 1 | 3 | 0.614353 |
5nvf | 1.55 | 2,018 | 9AW | B | 1204 | ic50 | = | 16 | nM | -7.79588 | MOAD | ic50=16.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc(-c3ccccn3)cc2)nc2ccccc12 | 299.333 | 3.6521 | 58.64 | 2 | 23 | 1 | 3 | 0.614353 |
5nvh | 1.6 | 2,018 | 9B2 | A | 1204 | ic50 | = | 15 | nM | -7.823909 | MOAD | ic50=15.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc(N3CCCCC3)cc2)nc2ccccc12 | 305.381 | 3.5804 | 48.99 | 2 | 23 | 1 | 3 | 0.78701 |
5nvh | 1.6 | 2,018 | 9B2 | B | 1204 | ic50 | = | 15 | nM | -7.823909 | MOAD | ic50=15.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=c1[nH]c(-c2ccc(N3CCCCC3)cc2)nc2ccccc12 | 305.381 | 3.5804 | 48.99 | 2 | 23 | 1 | 3 | 0.78701 |
5nvv | 2.1 | 2,017 | 9BT | C | 301 | kd | = | 105 | nM | -6.978811 | MOAD | Kd=105.0nM | P40337,Q15369,P40337 | Von Hippel-Lindau disease tumor suppressor,Elongin-C,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CO)C(C)(C)C)cc1 | 488.61 | 1.21972 | 131.86 | 7 | 34 | 4 | 7 | 0.463434 |
5nvv | 2.1 | 2,017 | 9BT | F | 301 | kd | = | 105 | nM | -6.978811 | MOAD | Kd=105.0nM | Q15369,P40337,P40337 | Elongin-C,Von Hippel-Lindau disease tumor suppressor,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CO)C(C)(C)C)cc1 | 488.61 | 1.21972 | 131.86 | 7 | 34 | 4 | 7 | 0.463434 |
5nvv | 2.1 | 2,017 | 9BT | I | 301 | kd | = | 105 | nM | -6.978811 | MOAD | Kd=105.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CO)C(C)(C)C)cc1 | 488.61 | 1.21972 | 131.86 | 7 | 34 | 4 | 7 | 0.463434 |
5nvv | 2.1 | 2,017 | 9BT | L | 301 | kd | = | 105 | nM | -6.978811 | MOAD | Kd=105.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CO)C(C)(C)C)cc1 | 488.61 | 1.21972 | 131.86 | 7 | 34 | 4 | 7 | 0.463434 |
5nvw | 2.2 | 2,017 | 9BW | C | 301 | kd | = | 132 | nM | -6.879426 | MOAD | Kd=132.0nM | P40337,Q15369,P40337 | Von Hippel-Lindau disease tumor suppressor,Elongin-C,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1 | 498.649 | 2.63742 | 111.63 | 7 | 35 | 3 | 6 | 0.543478 |
5nvw | 2.2 | 2,017 | 9BW | F | 301 | kd | = | 132 | nM | -6.879426 | MOAD | Kd=132.0nM | Q15369,P40337,P40337 | Elongin-C,Von Hippel-Lindau disease tumor suppressor,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1 | 498.649 | 2.63742 | 111.63 | 7 | 35 | 3 | 6 | 0.543478 |
5nvw | 2.2 | 2,017 | 9BW | I | 301 | kd | = | 132 | nM | -6.879426 | MOAD | Kd=132.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1 | 498.649 | 2.63742 | 111.63 | 7 | 35 | 3 | 6 | 0.543478 |
5nvw | 2.2 | 2,017 | 9BW | L | 301 | kd | = | 132 | nM | -6.879426 | MOAD | Kd=132.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1 | 498.649 | 2.63742 | 111.63 | 7 | 35 | 3 | 6 | 0.543478 |
5nvx | 2.2 | 2,017 | 4YY | C | 301 | kd | = | 44 | nM | -7.356547 | MOAD | Kd=44.0nM | P40337,Q15369,P40337 | Von Hippel-Lindau disease tumor suppressor,Elongin-C,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1 | 516.639 | 2.72952 | 111.63 | 7 | 36 | 3 | 6 | 0.524105 |
5nvx | 2.2 | 2,017 | 4YY | F | 301 | kd | = | 44 | nM | -7.356547 | MOAD | Kd=44.0nM | Q15369,P40337,P40337 | Elongin-C,Von Hippel-Lindau disease tumor suppressor,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1 | 516.639 | 2.72952 | 111.63 | 7 | 36 | 3 | 6 | 0.524105 |
5nvx | 2.2 | 2,017 | 4YY | I | 301 | kd | = | 44 | nM | -7.356547 | MOAD | Kd=44.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1 | 516.639 | 2.72952 | 111.63 | 7 | 36 | 3 | 6 | 0.524105 |
5nvx | 2.2 | 2,017 | 4YY | L | 301 | kd | = | 44 | nM | -7.356547 | MOAD | Kd=44.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1 | 516.639 | 2.72952 | 111.63 | 7 | 36 | 3 | 6 | 0.524105 |
5nvy | 2.9 | 2,017 | 9B5 | C | 301 | ic50 | = | 21,200 | nM | -4.673664 | BindingDB | IC50=21200nM | P40337,Q15369,P40337 | Von Hippel-Lindau disease tumor suppressor,Elongin-C,Von Hippel-Lindau disease tumor suppressor | CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1 | 430.53 | 1.22112 | 111.63 | 6 | 30 | 3 | 6 | 0.638116 |
5nvy | 2.9 | 2,017 | 9B5 | F | 301 | ic50 | = | 21,200 | nM | -4.673664 | BindingDB | IC50=21200nM | Q15369,P40337,P40337 | Elongin-C,Von Hippel-Lindau disease tumor suppressor,Von Hippel-Lindau disease tumor suppressor | CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1 | 430.53 | 1.22112 | 111.63 | 6 | 30 | 3 | 6 | 0.638116 |
5nvy | 2.9 | 2,017 | 9B5 | I | 301 | ic50 | = | 21,200 | nM | -4.673664 | BindingDB | IC50=21200nM | P40337 | Von Hippel-Lindau disease tumor suppressor | CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1 | 430.53 | 1.22112 | 111.63 | 6 | 30 | 3 | 6 | 0.638116 |
5nvy | 2.9 | 2,017 | 9B5 | L | 301 | ic50 | = | 21,200 | nM | -4.673664 | BindingDB | IC50=21200nM | P40337 | Von Hippel-Lindau disease tumor suppressor | CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1 | 430.53 | 1.22112 | 111.63 | 6 | 30 | 3 | 6 | 0.638116 |
5nw0 | 2.3 | 2,017 | 9BK | C | 301 | kd | = | 128 | nM | -6.89279 | MOAD | Kd=128.0nM | P40337,Q15369,P40337 | Von Hippel-Lindau disease tumor suppressor,Elongin-C,Von Hippel-Lindau disease tumor suppressor | CC(=O)NC1(C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1 | 555.701 | 1.89612 | 140.73 | 8 | 39 | 4 | 7 | 0.392225 |
5nw0 | 2.3 | 2,017 | 9BK | F | 301 | kd | = | 128 | nM | -6.89279 | MOAD | Kd=128.0nM | Q15369,P40337,P40337 | Elongin-C,Von Hippel-Lindau disease tumor suppressor,Von Hippel-Lindau disease tumor suppressor | CC(=O)NC1(C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1 | 555.701 | 1.89612 | 140.73 | 8 | 39 | 4 | 7 | 0.392225 |
5nw0 | 2.3 | 2,017 | 9BK | I | 301 | kd | = | 128 | nM | -6.89279 | MOAD | Kd=128.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | CC(=O)NC1(C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1 | 555.701 | 1.89612 | 140.73 | 8 | 39 | 4 | 7 | 0.392225 |
5nw0 | 2.3 | 2,017 | 9BK | L | 301 | kd | = | 128 | nM | -6.89279 | MOAD | Kd=128.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | CC(=O)NC1(C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1 | 555.701 | 1.89612 | 140.73 | 8 | 39 | 4 | 7 | 0.392225 |
5nw1 | 2.1 | 2,017 | 9BH | C | 301 | kd | = | 210 | nM | -6.677781 | MOAD | Kd=210.0nM | P40337,Q15369,P40337 | Von Hippel-Lindau disease tumor suppressor,Elongin-C,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1 | 512.676 | 3.02752 | 111.63 | 7 | 36 | 3 | 6 | 0.528105 |
5nw1 | 2.1 | 2,017 | 9BH | F | 301 | kd | = | 210 | nM | -6.677781 | MOAD | Kd=210.0nM | Q15369,P40337,P40337 | Elongin-C,Von Hippel-Lindau disease tumor suppressor,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1 | 512.676 | 3.02752 | 111.63 | 7 | 36 | 3 | 6 | 0.528105 |
5nw1 | 2.1 | 2,017 | 9BH | I | 301 | kd | = | 210 | nM | -6.677781 | MOAD | Kd=210.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1 | 512.676 | 3.02752 | 111.63 | 7 | 36 | 3 | 6 | 0.528105 |
5nw1 | 2.1 | 2,017 | 9BH | L | 301 | kd | = | 210 | nM | -6.677781 | MOAD | Kd=210.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1 | 512.676 | 3.02752 | 111.63 | 7 | 36 | 3 | 6 | 0.528105 |
5nw2 | 2.2 | 2,017 | 9B8 | C | 301 | kd | = | 232 | nM | -6.634512 | MOAD | Kd=232.0nM | P40337,Q15369,P40337 | Von Hippel-Lindau disease tumor suppressor,Elongin-C,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2COC2)C(C)(C)C)cc1 | 514.648 | 1.87382 | 120.86 | 7 | 36 | 3 | 7 | 0.518896 |
5nw2 | 2.2 | 2,017 | 9B8 | F | 301 | kd | = | 232 | nM | -6.634512 | MOAD | Kd=232.0nM | Q15369,P40337,P40337 | Elongin-C,Von Hippel-Lindau disease tumor suppressor,Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2COC2)C(C)(C)C)cc1 | 514.648 | 1.87382 | 120.86 | 7 | 36 | 3 | 7 | 0.518896 |
5nw2 | 2.2 | 2,017 | 9B8 | I | 301 | kd | = | 232 | nM | -6.634512 | MOAD | Kd=232.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2COC2)C(C)(C)C)cc1 | 514.648 | 1.87382 | 120.86 | 7 | 36 | 3 | 7 | 0.518896 |
5nw2 | 2.2 | 2,017 | 9B8 | L | 301 | kd | = | 232 | nM | -6.634512 | MOAD | Kd=232.0nM | P40337 | Von Hippel-Lindau disease tumor suppressor | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2COC2)C(C)(C)C)cc1 | 514.648 | 1.87382 | 120.86 | 7 | 36 | 3 | 7 | 0.518896 |
5nw7 | 1.85 | 2,018 | 9C2 | A | 502 | ki | = | 1.7 | uM | -5.769551 | MOAD | Ki=1.7uM | P34948 | Mannose-6-phosphate isomerase | NNC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] | 258.123 | -5.0957 | 188.23 | 6 | 16 | 5 | 9 | 0.134152 |
5nwb | 1.6 | 2,018 | 9C5 | A | 1204 | ic50 | = | 16 | nM | -7.79588 | MOAD | ic50=16.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | CN(CCO)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 | 295.342 | 2.0186 | 69.22 | 4 | 22 | 2 | 4 | 0.772384 |
5nwb | 1.6 | 2,018 | 9C5 | B | 1204 | ic50 | = | 16 | nM | -7.79588 | MOAD | ic50=16.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | CN(CCO)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 | 295.342 | 2.0186 | 69.22 | 4 | 22 | 2 | 4 | 0.772384 |
5nwc | 1.5 | 2,018 | 9CE | A | 1204 | ic50 | = | 700 | nM | -6.154902 | MOAD | ic50=700.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1 | 237.262 | 2.1723 | 71.77 | 1 | 18 | 2 | 3 | 0.636989 |
5nwc | 1.5 | 2,018 | 9CE | B | 1203 | ic50 | = | 700 | nM | -6.154902 | MOAD | ic50=700.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1 | 237.262 | 2.1723 | 71.77 | 1 | 18 | 2 | 3 | 0.636989 |
5nwd | 1.45 | 2,018 | 9C8 | A | 1201 | ic50 | = | 10 | nM | -8 | MOAD | ic50=10.0nM | Q9H2K2,Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2,Tankyrase-2 | CCN(CC)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 | 293.37 | 3.4363 | 48.99 | 4 | 22 | 1 | 3 | 0.801378 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.