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P32247 | BRS3_HUMAN | Bombesin receptor subtype-3 (BRS3)

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
CHEMBL2023112 OBDepict NH 2 O H 3 C H 3 C N N H S O O N O F F F F F F IC50 = 0.5 nM 574.5 CC(C)(C(N)=O)c1cccc2c1N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2027395 cell-based format
CHEMBL2023113 OBDepict NH 2 O N NH S O O O F F F N F F F IC50 = 0.5 nM 586.51 NC(=O)C1(c2cccc3c2N(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)CCC1 Homo sapiens CHEMBL2027395 cell-based format
CHEMBL2179918 OBDepict CH 3 CH 3 CH 3 S N O O N H N N F F F IC50 = 0.7 nM 512.56 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc4ncccc4c32)cc1 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2164581 OBDepict OH O N N N HN S O O CH 3 CH 3 H 3 C N F F F IC50 = 0.7 nM 559.57 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4noc(CO)n4)c32)cc1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2164577 OBDepict H 3 C N N N NH S O O H 3 C H 3 C CH 3 N F F F IC50 = 0.76 nM 541.6 Cn1cc(-c2cccc3c2N(S(=O)(=O)c2ccc(C(C)(C)C)cc2)Cc2ccc(C(F)(F)F)nc2N3)cn1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2179911 OBDepict H 3 C N N H S O O H 3 C CH 3 H 3 C N F F F IC50 = 0.9 nM 475.54 Cc1cccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2164223 OBDepict CH 3 CH 3 H 3 C S N O O HN N N N O F F F HO CH 3 CH 3 IC50 = 0.9 nM 587.62 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4noc(C(C)(C)O)n4)c32)cc1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2164580 OBDepict CH 3 CH 3 H 3 C S N O O HN N N N O F F F IC50 = 1.1 nM 529.54 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4ncon4)c32)cc1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2164582 OBDepict H HO CH 3 O N N N NH S O O H 3 C H 3 C CH 3 N F F F IC50 = 1.2 nM 573.6 C[C@H](O)c1nc(-c2cccc3c2N(S(=O)(=O)c2ccc(C(C)(C)C)cc2)Cc2ccc(C(F)(F)F)nc2N3)no1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2179908 OBDepict Cl N N H N S O O H 3 C CH 3 H 3 C H 3 C CH 3 IC50 = 1.2 nM 456.01 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2164578 OBDepict H 3 C CH 3 CH 3 S N O O HN N NH F F F IC50 = 1.4 nM 544.64 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(C4CCNCC4)c32)cc1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2179473 OBDepict H 3 C H 3 C S N O O N H H 3 C N CH 3 F F F IC50 = 1.6 nM 475.54 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2164224 OBDepict H 3 C CH 3 S N O O HN N N N O F F F HO CH 3 CH 3 IC50 = 1.7 nM 573.6 CC(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4noc(C(C)(C)O)n4)c32)cc1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2164576 OBDepict H 3 C CH 3 CH 3 S N O O HN N N F F F IC50 = 1.72 nM 538.6 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4cccnc4)c32)cc1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2164222 OBDepict H HO CH 3 O N N N NH S O O H 3 C H 3 C CH 3 N F F F IC50 = 1.9 nM 573.6 C[C@@H](O)c1nc(-c2cccc3c2N(S(=O)(=O)c2ccc(C(C)(C)C)cc2)Cc2ccc(C(F)(F)F)nc2N3)no1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2179916 OBDepict OH N HN S O O CH 3 CH 3 H 3 C N F F F IC50 = 2.2 nM 477.51 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(O)c32)cc1 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179912 OBDepict Cl N HN S O O CH 3 CH 3 H 3 C N F F F IC50 = 3.2 nM 495.95 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(Cl)c32)cc1 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179476 OBDepict H 3 C CH 3 N N H S O O O F F F N F F F IC50 = 3.3 nM 517.45 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1672354 OBDepict H N N OH F F F F F F N N Ki = 3.7 nM 444.38 O[C@@](Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)(c1ccc(-n2cccn2)cc1)C(F)(F)F Homo sapiens CHEMBL1680281 single protein format
CHEMBL2179907 OBDepict N N N H N S O O H 3 C CH 3 H 3 C H 3 C CH 3 IC50 = 4.4 nM 446.58 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C#N)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179915 OBDepict F N N H S HO CH 3 CH 3 O O H 3 C CH 3 H 3 C N F F F IC50 = 5.0 nM 537.58 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(C(C)(C)O)c(F)c32)cc1 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1672353 OBDepict H N N OH H 3 C CH 3 CH 3 H 3 C N N IC50 = 5.0 nM 338.45 CC(C)(C)Cc1c[nH]c(CC(C)(O)c2ccc(-n3cccn3)cc2)n1 Homo sapiens CHEMBL1680281 single protein format
CHEMBL1088409 OBDepict H 3 C CH 3 CH 3 N N H N H O HO IC50 = 5.3 nM 383.54 CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCC[C@@H]3C(=O)O)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL2179917 OBDepict CH 3 N N N H S O O H 3 C CH 3 H 3 C N F F F IC50 = 5.3 nM 476.52 Cc1ccc2c(n1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1094054 OBDepict H 3 C CH 3 CH 3 N N H O N N N H N IC50 = 5.3 nM 430.56 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nnn[nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL2179914 OBDepict CH 3 CH 3 CH 3 S N O O N H N F F F IC50 = 5.5 nM 461.51 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccccc32)cc1 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179477 OBDepict H 3 C CH 3 N N H S O O F H 3 C CH 3 N F F F IC50 = 5.7 nM 493.53 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)F)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179478 OBDepict N CH 3 H 3 C S N O O N H H 3 C N CH 3 F F F IC50 = 5.7 nM 500.55 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179913 OBDepict CH 3 N N H S O O H 3 C CH 3 H 3 C N F F F IC50 = 5.8 nM 475.54 Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1086672 OBDepict H 3 C CH 3 CH 3 N N H O N N H N S H IC50 = 6.1 nM 461.64 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc(=S)[nH][nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1088410 OBDepict H 3 C CH 3 CH 3 N N H N H N N N H N IC50 = 6.2 nM 407.57 CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCC[C@@H]3c3nnn[nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1091985 OBDepict H 3 C CH 3 CH 3 N N H N H 3 C IC50 = 6.3 nM 347.51 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccc(C)n3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL2179474 OBDepict CH 3 H 3 C N N H S O O F F F N F F F IC50 = 6.8 nM 501.45 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1092381 OBDepict H 3 C CH 3 CH 3 N N H N H 2 N IC50 = 7.3 nM 348.49 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccc(N)n3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1091599 OBDepict H 3 C CH 3 CH 3 N N H N IC50 = 7.5 nM 333.48 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccnc3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL2164225 OBDepict O S N O NH N N N O F F F F F F OH H 3 C H 3 C IC50 = 8.3 nM 599.51 CC(C)(O)c1nc(-c2cccc3c2N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)no1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL2179910 OBDepict CH 3 H 3 C N N H S O O H 3 C CH 3 H 3 C N Cl F IC50 = 8.9 nM 474.0 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1cc(F)c(Cl)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179484 OBDepict H 3 C N N H N S O O H 3 C CH 3 H 3 C H 3 C CH 3 IC50 = 10.0 nM 435.59 Cc1ccc2c(n1)Nc1ccc(C)c(C)c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL2179480 OBDepict CH 3 CH 3 N HN S O O S F F F N F F F IC50 = 10.0 nM 507.48 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1082471 OBDepict CH 3 H 3 C H 3 C N N H N S IC50 = 10.0 nM 339.51 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cnsc3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1087443 OBDepict CH 3 H 3 C H 3 C N N H N H O IC50 = 10.0 nM 387.53 CCC(C)(C)Cc1c[nH]c(CCc2ccc3c(c2)CNC(=O)c2ccccc2-3)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1093459 OBDepict CH 3 H 3 C H 3 C N N H S N IC50 = 11.0 nM 339.51 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccns3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1671874 OBDepict H N N OH H 3 C F F F N N IC50 = 11.0 nM 390.41 CC(O)(Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)c1ccc(-n2cccn2)cc1 Homo sapiens CHEMBL1680281 single protein format
CHEMBL1089721 OBDepict H 3 C CH 3 CH 3 N N H O HO IC50 = 11.0 nM 376.5 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3C(=O)O)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL2179481 OBDepict CH 3 CH 3 N HN S O O S F F F N F F F IC50 = 14.0 nM 507.48 Cc1ccc2c(c1C)N(S(=O)(=O)c1csc(C(F)(F)F)c1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1099034 OBDepict H N N N N N H N IC50 = 15.0 nM 398.51 c1ccc(-c2nnn[nH]2)c(-c2ccc(CCc3nc(CC4CCCC4)c[nH]3)cc2)c1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1672352 OBDepict F N HO CH 3 N N H H 3 C H 3 C CH 3 IC50 = 17.0 nM 367.47 CC(C)(C)Cc1c[nH]c(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)n1 Homo sapiens CHEMBL1680281 single protein format
CHEMBL1088553 OBDepict H 3 C CH 3 CH 3 N N H N N H N IC50 = 18.0 nM 377.54 CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCc4cn[nH]c43)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL2164226 OBDepict F O F S N O O HN N N N O F F F OH CH 3 H 3 C IC50 = 18.0 nM 597.52 CC(C)(O)c1nc(-c2cccc3c2N(S(=O)(=O)c2ccc(OC(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)no1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL1091720 OBDepict H 3 C CH 3 CH 3 N N H N IC50 = 18.0 nM 333.48 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1093184 OBDepict H 3 C CH 3 CH 3 N N H N F IC50 = 19.0 nM 351.47 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccc(F)cn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL2179479 OBDepict H 3 C CH 3 N N H S O O + S N H 3 C CH 3 H 3 C N F F F IC50 = 20.0 nM 497.59 Cc1ccc2c(c1C)N(S(=O)(=O)C1=NC(C(C)(C)C)C=[S+]1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1087200 OBDepict CH 3 H 3 C H 3 C N N H N CH 3 O IC50 = 20.0 nM 401.55 CCC(C)(C)Cc1c[nH]c(CCc2ccc3c(c2)CN(C)C(=O)c2ccccc2-3)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1086673 OBDepict H 3 C CH 3 CH 3 N N H O N N H N IC50 = 22.0 nM 429.57 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3ncn[nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1088411 OBDepict H 3 C CH 3 CH 3 N N H N H N N H N IC50 = 26.0 nM 406.58 CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCC[C@@H]3c3ncn[nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1086674 OBDepict H 3 C CH 3 CH 3 N N H O N N H N H 2 N IC50 = 27.0 nM 444.58 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc(N)n[nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1672354 OBDepict H N N OH F F F F F F N N IC50 = 27.0 nM 444.38 O[C@@](Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)(c1ccc(-n2cccn2)cc1)C(F)(F)F Homo sapiens CHEMBL1680281 single protein format
CHEMBL1091918 OBDepict H 3 C CH 3 CH 3 N N H N IC50 = 28.0 nM 339.53 CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCCC3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL2164579 OBDepict H N O O N N HN S O O CH 3 CH 3 H 3 C N F F F IC50 = 29.0 nM 545.54 CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4noc(=O)[nH]4)c32)cc1 Homo sapiens CHEMBL2168755 cell-based format
CHEMBL1088684 OBDepict CH 3 H 3 C H 3 C N N H OH IC50 = 31.0 nM 348.49 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3O)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1086684 OBDepict H 3 C CH 3 CH 3 N N H O N N H N O H IC50 = 31.0 nM 445.57 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc(=O)[nH][nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1089521 OBDepict CH 3 H 3 C H 3 C N N H N N IC50 = 33.0 nM 322.46 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-n3cccn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1092730 OBDepict H N N F O OH F IC50 = 36.0 nM 424.49 O=C(O)c1cc(F)c(F)cc1-c1ccc(CCc2nc(CC3CCCCC3)c[nH]2)cc1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL2179482 OBDepict H 3 C CH 3 N N H S O O H 3 C CH 3 H 3 C N IC50 = 40.0 nM 421.57 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1cccnc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1089511 OBDepict H 3 C CH 3 CH 3 N N H N N S IC50 = 45.0 nM 340.5 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3csnn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1089512 OBDepict H 3 C CH 3 CH 3 N N H N N IC50 = 51.0 nM 334.47 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cnccn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1093170 OBDepict H 3 C CH 3 CH 3 N N H N HO IC50 = 51.0 nM 349.48 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccc(O)n3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1762274 OBDepict H N N N HN S O O N N H IC50 = 68.0 nM 388.5 O=S(=O)(Nc1nc(C2CCC2)n[nH]1)c1cnccc1NC1CC2CCC1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL2179475 OBDepict H 3 C CH 3 N N H S O O S O O CH 3 N F F F IC50 = 73.0 nM 511.55 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1762250 OBDepict H 3 C NH H 3 C H 3 C NH O S O O N NH H H H IC50 = 75.0 nM 380.51 CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1672351 OBDepict F N HO CH 3 N N H CH 3 CH 3 H 3 C IC50 = 82.0 nM 367.47 CC(C)(C)Cc1c[nH]c(C(C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)n1 Homo sapiens CHEMBL1680281 single protein format
CHEMBL1087442 OBDepict H 3 C CH 3 CH 3 N N H O N N H N IC50 = 83.0 nM 429.57 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3cnn[nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1762247 OBDepict O N H N H S O O N N H H H H H 3 C H 3 C CH 3 IC50 = 100.0 nM 366.49 CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1091984 OBDepict H 3 C CH 3 CH 3 N N H N IC50 = 101.0 nM 333.48 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccncc3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1088686 OBDepict H 3 C CH 3 CH 3 N N H O O OH IC50 = 103.0 nM 406.53 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCC(=O)O)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1087066 OBDepict H 3 C CH 3 CH 3 N N H O N N H N F F F IC50 = 127.0 nM 497.57 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc(C(F)(F)F)n[nH]3)cc2)n1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1093183 OBDepict H 3 C CH 3 CH 3 N N H N N IC50 = 140.0 nM 358.49 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccc(C#N)n3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL2164575 OBDepict H 3 C CH 3 N N H S O O H 3 C CH 3 H 3 C N F F F IC50 = 169.0 nM 489.56 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1091598 OBDepict H N N N IC50 = 177.0 nM 331.46 c1ccc(-c2ccc(CCc3nc(CC4CCCC4)c[nH]3)cc2)nc1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1091917 OBDepict CH 3 H 3 C H 3 C N N H N N N N IC50 = 205.0 nM 324.43 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-n3ncnn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1762248 OBDepict O N H N H S O O N N H H H H H 3 C H 3 C CH 3 IC50 = 230.0 nM 366.49 CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762271 OBDepict H N N NH S CH 3 H 3 C CH 3 O O N HN H H H IC50 = 250.0 nM 389.53 CC(C)(C)c1cc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1088685 OBDepict O NH S O N N IC50 = 287.0 nM 445.59 O=C1NC(=O)C(c2ccccc2-c2ccc(CCC3N=CC(CC4CCCC4)=N3)cc2)S1 Homo sapiens CHEMBL1110001 single protein format
CHEMBL1762273 OBDepict H N N N HN S O O N HN H H H IC50 = 290.0 nM 388.5 O=S(=O)(Nc1nc(C2CCC2)n[nH]1)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762255 OBDepict O N H N H S O O N N H H CH 3 H CH 3 CH 3 H 3 C H 3 C CH 3 IC50 = 300.0 nM 408.57 CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762252 OBDepict O N H N H S O O N N H H H H IC50 = 310.0 nM 444.6 O=C(NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1089522 OBDepict H 3 C CH 3 CH 3 N N H N N N IC50 = 340.0 nM 323.44 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-n3cncn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1089523 OBDepict CH 3 H 3 C H 3 C N N H N N N IC50 = 390.0 nM 323.44 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-n3ccnn3)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1762253 OBDepict O HN N H S O O N NH CH 3 H 3 C CH 3 IC50 = 400.0 nM 354.48 CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCCCC1 Homo sapiens CHEMBL1763130 single protein format
CHEMBL2179909 OBDepict Cl N N H N S O O H 3 C CH 3 H 3 C H 3 C CH 3 IC50 = 430.0 nM 456.01 Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1cc(Cl)cnc1N2 Homo sapiens CHEMBL2182521 cell-based format
CHEMBL1762245 OBDepict CH 3 NH H 3 C N H O S O O N HN H H H IC50 = 510.0 nM 352.46 CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762269 OBDepict H H H N H S N HN O O CH 3 CH 3 CH 3 IC50 = 520.0 nM 399.56 CC(C)(C)c1cccc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762251 OBDepict O N H N H S O O N N H H H H H 3 C H 3 C H 3 C H 3 C CH 3 IC50 = 530.0 nM 422.6 CC(C)(C)CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1091553 OBDepict H 3 C CH 3 CH 3 N N H N O HO IC50 = 560.0 nM 377.49 CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccnc3C(=O)O)cc2)n1 Homo sapiens CHEMBL1116182 cell-based format
CHEMBL1348293 OBDepict H 3 C HN CH 3 N H O S O O N NH IC50 = 600.0 nM 352.46 CC(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CC2CCC1C2 Homo sapiens CHEMBL1763116 single protein format
CHEMBL1762249 OBDepict O N H N H S O O N N H H H H H 3 C H 3 C CH 3 IC50 = 630.0 nM 366.49 CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762266 OBDepict O N N H H 3 C S H 3 C H 3 C CH 3 O O N N H H H H IC50 = 650.0 nM 380.51 CN(C(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2)C(C)(C)C Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762254 OBDepict O N H N H S O O N N H H CH 3 H CH 3 CH 3 H 3 C H 3 C CH 3 IC50 = 660.0 nM 408.57 CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762272 OBDepict H N N N NH S CH 3 H 3 C O O N HN H H H IC50 = 770.0 nM 376.49 CC(C)c1n[nH]c(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)n1 Homo sapiens CHEMBL1763130 single protein format
CHEMBL1762246 OBDepict CH 3 NH H 3 C N H O S O O N HN H H H IC50 = 820.0 nM 352.46 CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL1763130 single protein format