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P30518 | V2R_HUMAN | Vasopressin V2 receptor (AVPR2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL344159 OBDepict Cl N OH O CH 3 HN O CH 3 IC50 = 0.00734 nM 448.95 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1 Homo sapiens CHEMBL4726270 single protein format
CHEMBL102311 OBDepict H 3 C O N H O N O IC50 = 0.2 nM 466.58 COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 Homo sapiens CHEMBL820882 single protein format
CHEMBL1755 OBDepict O N H N O N N H CH 3 Ki = 0.36 nM 498.59 Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2 Homo sapiens CHEMBL1120489 single protein format
CHEMBL344159 OBDepict Cl N OH O CH 3 HN O CH 3 Ki = 0.43 nM 448.95 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1 Homo sapiens CHEMBL824690 cell-based format
CHEMBL311931 OBDepict Cl N H N O O N CH 3 CH 3 IC50 = 0.5 nM 469.97 Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C Homo sapiens CHEMBL821346 cell-based format
CHEMBL603708 OBDepict O N H N O Ki = 0.57 nM 446.55 O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL1065237 cell-based format
CHEMBL49322 OBDepict O N H H 3 C N O S IC50 = 0.7 nM 438.55 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 Homo sapiens CHEMBL817081 cell-based format
CHEMBL420031 OBDepict F Cl N H O Cl N O N IC50 = 0.7 nM 494.35 O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl Homo sapiens CHEMBL821346 cell-based format
CHEMBL543854 OBDepict Cl N H N O O H N O ClH Ki = 0.9 nM 574.51 Cl.O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL3924331 OBDepict O N H N N O N O Cl OH H O NH 2 F F F Cl IC50 = 1.0 nM 576.36 NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl Homo sapiens CHEMBL3887486 assay format
CHEMBL310416 OBDepict Cl N H N O O N CH 3 IC50 = 1.0 nM 455.95 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 Homo sapiens CHEMBL821346 cell-based format
CHEMBL49429 OBDepict F CH 3 N H O Cl N O N IC50 = 1.2 nM 473.94 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 Homo sapiens CHEMBL817838 single protein format
CHEMBL327242 OBDepict OH NH O Cl N O H N O Ki = 1.4 nM 554.05 O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL3965167 OBDepict Cl N N N O OH H N N F F F N H F IC50 = 1.4 nM 496.85 O=c1n(Cc2nnc(Cc3ccccc3F)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F Homo sapiens CHEMBL3887597 assay format
CHEMBL68085 OBDepict F CH 3 N H O N O N IC50 = 1.5 nM 439.49 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 Homo sapiens CHEMBL821346 cell-based format
CHEMBL3938717 OBDepict Cl N N N O OH H N N F F F N H Cl IC50 = 1.5 nM 513.31 O=c1n(Cc2nnc(Cc3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F Homo sapiens CHEMBL3887597 assay format
CHEMBL350973 OBDepict H N N S N O Cl NH O IC50 = 1.7 nM 525.03 O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL817838 single protein format
CHEMBL80029 OBDepict Cl N H N O O N CH 3 F IC50 = 1.9 nM 473.94 Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 Homo sapiens CHEMBL821346 cell-based format
CHEMBL81269 OBDepict CH 3 O N H N O O Cl N Cl IC50 = 1.9 nM 506.39 COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl Homo sapiens CHEMBL821346 cell-based format
CHEMBL93603 OBDepict F NH O Cl N O H N O Ki = 1.9 nM 556.04 O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL3912406 OBDepict NH 2 O O N H Cl Cl O N N O N OH H F F F Cl IC50 = 2.0 nM 596.78 NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl Homo sapiens CHEMBL3887486 assay format
CHEMBL3949118 OBDepict Cl N N N O N N N H O OH Cl Cl IC50 = 2.0 nM 569.84 O=C(O)c1cccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)c1 Homo sapiens CHEMBL3887597 assay format
CHEMBL311230 OBDepict Cl Cl N H O Cl N O N IC50 = 2.0 nM 510.81 O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl Homo sapiens CHEMBL821346 cell-based format
CHEMBL312036 OBDepict CH 3 O N H N O O N H 3 C F IC50 = 2.0 nM 469.52 COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 Homo sapiens CHEMBL821346 cell-based format
CHEMBL3964135 OBDepict O N H N N O N O Cl O NH 2 OH H F F F Cl IC50 = 2.0 nM 562.33 NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl Homo sapiens CHEMBL3887486 assay format
CHEMBL81133 OBDepict F CH 3 N H O H 3 C N O N IC50 = 2.1 nM 453.52 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 Homo sapiens CHEMBL821346 cell-based format
CHEMBL119793 OBDepict O N H H 3 C N O Ki = 2.68 nM 384.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 Homo sapiens CHEMBL2175262 cell-based format
CHEMBL159359 OBDepict Cl N H N O O N IC50 = 2.7 nM 518.02 O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL817838 single protein format
CHEMBL329026 OBDepict CH 3 O NH O Cl N O H N O Ki = 2.8 nM 568.07 COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL328079 OBDepict F CH 3 N H O Cl N O H N O Ki = 2.8 nM 493.97 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 Homo sapiens CHEMBL818587 single protein format
CHEMBL3933782 OBDepict O HN N N O N O O H 2 N OH H F F F F F F Cl IC50 = 3.0 nM 595.88 NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL3887486 assay format
CHEMBL329903 OBDepict O N H N S N H O Ki = 3.2 nM 519.67 O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL418890 OBDepict Cl Cl N H O N O N IC50 = 3.2 nM 476.36 O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl Homo sapiens CHEMBL817838 single protein format
CHEMBL328791 OBDepict OH N H N O O N S Ki = 3.2 nM 535.67 O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL3955416 OBDepict Cl N N N O HO H N F F F N Cl IC50 = 3.3 nM 498.29 O=c1n(Cc2cn(-c3ccccc3Cl)cn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F Homo sapiens CHEMBL3887597 assay format
CHEMBL475684 OBDepict O NH F F N N N O Cl N N CH 3 Ki = 3.4 nM 548.98 Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=CC(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL1009070 cell-based format
CHEMBL350089 OBDepict F CH 3 N H O Cl N O S IC50 = 3.4 nM 442.94 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1 Homo sapiens CHEMBL817838 single protein format
CHEMBL330005 OBDepict F NH O Cl N O N S Ki = 3.7 nM 572.11 O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL93861 OBDepict O N H N O N H O Ki = 3.7 nM 503.6 O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL539285 OBDepict Cl N H N O O H N S ClH Ki = 3.7 nM 590.58 Cl.O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL432043 OBDepict CH 3 O N H O Cl N O H N O Ki = 3.7 nM 568.07 COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 Homo sapiens CHEMBL818587 single protein format
CHEMBL104796 OBDepict Cl N H N O O N IC50 = 4.0 nM 562.11 O=C(Nc1ccc(C(=O)N2CC3C4CCC(CC4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL815042 single protein format
CHEMBL443498 OBDepict Cl N H N O O H N IC50 = 4.0 nM 548.09 O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL815042 single protein format
CHEMBL349141 OBDepict Cl N H N O O N O OH IC50 = 4.0 nM 562.03 O=C(Nc1ccc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL817840 cell-based format
CHEMBL81755 OBDepict F CH 3 N H O Cl N O N IC50 = 4.0 nM 473.94 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl Homo sapiens CHEMBL821346 cell-based format
CHEMBL306970 OBDepict F Cl N H O N O N IC50 = 4.0 nM 459.91 O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl Homo sapiens CHEMBL821346 cell-based format
CHEMBL334376 OBDepict H 2 N H 3 C N O Cl IC50 = 4.1 nM 314.82 Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc21 Homo sapiens CHEMBL817841 cell-based format
CHEMBL330016 OBDepict HO NH O Cl N O H N O Ki = 4.2 nM 554.05 O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccc(O)cc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL314290 OBDepict CH 3 O NH O Cl N O H N O Ki = 4.2 nM 568.07 COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1 Homo sapiens CHEMBL818587 single protein format
CHEMBL420216 OBDepict H 3 C CH 3 N H O Cl N O N IC50 = 4.2 nM 469.97 Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 Homo sapiens CHEMBL821346 cell-based format
CHEMBL3911148 OBDepict Cl N N N O HO H N F F F N N Cl IC50 = 4.4 nM 499.28 O=c1n(Cc2cn(-c3ccccc3Cl)nn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F Homo sapiens CHEMBL3887597 assay format
CHEMBL3889504 OBDepict Cl N N N O OH F F F O OH Cl IC50 = 4.6 nM 552.34 O=C(O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O Homo sapiens CHEMBL3887597 assay format
CHEMBL487164 OBDepict O NH F F N N O Cl N N CH 3 ClH Ki = 4.8 nM 584.45 Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=CC(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1.Cl Homo sapiens CHEMBL940304 cell-based format
CHEMBL528996 OBDepict O NH F F N N O Cl N N CH 3 Ki = 4.8 nM 547.99 Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=CC(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL1009070 cell-based format
CHEMBL4104877 OBDepict O N H CH 3 N O H OH Ki = 4.87 nM 400.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 Homo sapiens CHEMBL4015770 cell-based format
CHEMBL330094 OBDepict OH HN O Cl N O H N O Ki = 5.0 nM 554.05 O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1 Homo sapiens CHEMBL818587 single protein format
CHEMBL327365 OBDepict O N N S N H O Ki = 5.0 nM 519.67 O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL175813 OBDepict O HN N O S IC50 = 5.0 nM 452.58 O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL815213 cell-based format
CHEMBL3965460 OBDepict O NH N N O N HN S Cl O O H 3 C HO H F F F Cl IC50 = 5.0 nM 596.42 CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl Homo sapiens CHEMBL3887486 assay format
CHEMBL343945 OBDepict CH 3 HN Cl N O Cl IC50 = 5.0 nM 363.29 CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 Homo sapiens CHEMBL817841 cell-based format
CHEMBL430841 OBDepict CH 3 N H O N O H N Cl IC50 = 5.0 nM 562.11 Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 Homo sapiens CHEMBL815042 single protein format
CHEMBL352150 OBDepict CH 3 O N H N O O N N CH 3 H 3 C IC50 = 5.2 nM 570.69 COc1cc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL817840 cell-based format
CHEMBL473872 OBDepict O NH F F N N H 3 C O Cl N N H 3 C Ki = 5.6 nM 562.02 Cc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 Homo sapiens CHEMBL1009070 cell-based format
CHEMBL3967902 OBDepict Cl N N N O HO F F F O NH 2 Cl IC50 = 5.8 nM 551.35 NC(=O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O Homo sapiens CHEMBL3887597 assay format
CHEMBL136644 OBDepict CH 2 N H Cl N O IC50 = 5.9 nM 340.85 C=CCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 Homo sapiens CHEMBL817841 cell-based format
CHEMBL485761 OBDepict O NH F F N N O Cl N N H 3 C ClH Ki = 6.0 nM 584.45 Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)/C(=CC(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1.Cl Homo sapiens CHEMBL940304 cell-based format
CHEMBL317673 OBDepict O N N N H O IC50 = 6.0 nM 527.67 O=C(Nc1ccc(C(=O)N2CC3C4CCC(CC4)N3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL815042 single protein format
CHEMBL602872 OBDepict CH 3 N H N O O HN N N H 3 C Ki = 6.4 nM 513.6 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL1065237 cell-based format
CHEMBL48867 OBDepict F CH 3 N H O Cl N O S IC50 = 6.8 nM 490.99 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)c(Cl)c1 Homo sapiens CHEMBL817081 cell-based format
CHEMBL341173 OBDepict HO O H S N O N H O IC50 = 7.0 nM 522.63 O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 Homo sapiens CHEMBL816920 single protein format
CHEMBL338901 OBDepict HO O S N O N H O IC50 = 7.0 nM 522.63 O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 Homo sapiens CHEMBL816920 single protein format
CHEMBL320416 OBDepict Cl N N O H N H O F F F IC50 = 7.0 nM 539.99 O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F Homo sapiens CHEMBL815042 single protein format
CHEMBL446566 OBDepict N N N H O F F N O Cl N N CH 3 Ki = 7.4 nM 573.0 Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=CC(=O)NCc4cccc(C#N)n4)c4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL1009070 cell-based format
CHEMBL342250 OBDepict Cl N N O IC50 = 7.5 nM 350.85 O=C(c1ccc(-n2cccc2)cc1Cl)N1CCCCc2ccccc21 Homo sapiens CHEMBL817841 cell-based format
CHEMBL424163 OBDepict CH 3 N CH 3 N N O Cl N H O IC50 = 7.5 nM 575.11 CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 Homo sapiens CHEMBL817840 cell-based format
CHEMBL118271 OBDepict O N H CH 3 N O OH Ki = 7.56 nM 400.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 Homo sapiens CHEMBL4015770 cell-based format
CHEMBL3925572 OBDepict Cl N N N O HO H F F F N N Cl IC50 = 7.7 nM 498.29 O=c1n(Cc2cnn(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F Homo sapiens CHEMBL3887597 assay format
CHEMBL93366 OBDepict H 3 C N N O S N H O Ki = 8.0 nM 533.7 Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 Homo sapiens CHEMBL818587 single protein format
CHEMBL337725 OBDepict OH S N O N H O IC50 = 8.0 nM 508.64 O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL816920 single protein format
CHEMBL3964694 OBDepict O N H N N O N N H Cl O NH 2 OH H F F F Cl IC50 = 8.0 nM 561.35 NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl Homo sapiens CHEMBL3887486 assay format
CHEMBL350576 OBDepict O N HN N H O O IC50 = 8.0 nM 487.56 O=C(Nc1ccc(C(=O)N2CCCC3C(=O)Nc4cccc2c43)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL817837 cell-based format
CHEMBL336825 OBDepict HO O H S N O N H O IC50 = 8.0 nM 522.63 O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 Homo sapiens CHEMBL816920 single protein format
CHEMBL4075127 OBDepict O N H CH 3 N O H OH Ki = 8.3 nM 400.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 Homo sapiens CHEMBL4015770 cell-based format
CHEMBL314344 OBDepict Cl N H N O O N F F F F IC50 = 8.3 nM 527.91 O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1cccc(C(F)(F)F)c1F Homo sapiens CHEMBL821346 cell-based format
CHEMBL3953766 OBDepict NH 2 O N N N N Cl N O N OH H F F F Cl IC50 = 8.3 nM 556.33 NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl Homo sapiens CHEMBL3887597 assay format
CHEMBL3942564 OBDepict Cl N N N O HO H N F F F N Cl Cl IC50 = 8.4 nM 544.75 O=c1n(Cc2cc(-c3cccc(Cl)c3Cl)ncn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F Homo sapiens CHEMBL3887597 assay format
CHEMBL3919631 OBDepict Cl N N N O OH H N N F F F N H Cl IC50 = 8.5 nM 499.28 O=c1n(Cc2nnc(-c3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F Homo sapiens CHEMBL3887597 assay format
CHEMBL139863 OBDepict Cl N N O N IC50 = 8.8 nM 351.84 O=C(c1ccc(-n2cccn2)cc1Cl)N1CCCCc2ccccc21 Homo sapiens CHEMBL817841 cell-based format
CHEMBL443498 OBDepict Cl N H N O O H N Ki = 9.0 nM 548.09 O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL824693 cell-based format
CHEMBL92470 OBDepict F N N O S HN O Ki = 9.0 nM 537.66 O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccc(F)cc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL818587 single protein format
CHEMBL320416 OBDepict Cl N N O H N H O F F F Ki = 9.0 nM 539.99 O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F Homo sapiens CHEMBL821469 cell-based format
CHEMBL340893 OBDepict Cl N N O IC50 = 9.0 nM 354.88 O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 Homo sapiens CHEMBL817841 cell-based format
CHEMBL295014 OBDepict O N H H 3 C N O S IC50 = 9.0 nM 438.55 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 Homo sapiens CHEMBL817081 cell-based format
CHEMBL444956 OBDepict O NH F F N N O Cl N N H 3 C CH 3 ClH Ki = 9.1 nM 598.48 Cc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(F)/C(=CC(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1.Cl Homo sapiens CHEMBL940304 cell-based format
CHEMBL1083479 OBDepict Cl N O Cl H Cl H 3 C CH 3 CH 3 N Ki = 9.2 nM 563.96 CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c(Cl)c3Cl)cc2Cl)C1 Homo sapiens CHEMBL1120489 single protein format
CHEMBL485760 OBDepict O NH F F N N O Cl N N ClH Ki = 9.2 nM 570.43 Cl.O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1 Homo sapiens CHEMBL940304 cell-based format
CHEMBL420762 OBDepict O N N N H CH 3 CH 3 O CH 3 Ki = 9.42 nM 427.55 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 Homo sapiens CHEMBL824690 cell-based format
CHEMBL478283 OBDepict HO HN O F F N O Cl N N CH 3 Ki = 9.7 nM 500.93 Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=CC(=O)NCCO)c4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL1009070 cell-based format
CHEMBL4215258 OBDepict H 3 C N N Cl N O O Ki < 10.0 nM 379.85 Cc1ccn(-c2ccc(C(=O)N3CCCC(=O)c4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL4201600 cell-based format
CHEMBL474072 OBDepict O NH F F N N NH 2 O Cl N N CH 3 Ki = 10.0 nM 563.01 Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=CC(=O)NCc4cccc(N)n4)c4ccccc43)c(Cl)c2)n1 Homo sapiens CHEMBL1009070 cell-based format