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P24530 | EDNRB_HUMAN | Endothelin receptor type B (EDNRB)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ 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
CHEMBL325581 OBDepict Cl S N O O N H 3 C H H H O HO F O O O H 3 C IC50 = 0.14 nM 585.09 CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCCCl Homo sapiens CHEMBL677449 cell-based format
CHEMBL433106 OBDepict O N H N H H 3 C H O O HO N CH 3 H 3 C H O N Ki = 0.21 nM 564.64 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccno3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL305462 OBDepict O N H N H H 3 C H O O HO N CH 3 H 3 C H S Ki = 0.23 nM 579.72 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccsc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL111277 OBDepict CH 3 S N O O N CH 3 H H H O OH F O O O H 3 C IC50 = 0.28 nM 578.7 CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1 Homo sapiens CHEMBL677449 cell-based format
CHEMBL323464 OBDepict H 3 C S N O O N H 3 C H H H O HO F O O O H 3 C IC50 = 0.47 nM 564.68 CCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1 Homo sapiens CHEMBL677449 cell-based format
CHEMBL109644 OBDepict CH 3 S N O O N CH 3 H H H O HO F O O O H 3 C IC50 = 0.48 nM 592.73 CCCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1 Homo sapiens CHEMBL677449 cell-based format
CHEMBL307470 OBDepict O N H N H H 3 C H O O HO N CH 3 H 3 C H S Ki = 0.6 nM 579.72 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3cccs3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL73835 OBDepict CH 3 S N H O O O N H H 3 C O N H CH 3 O CH 3 CH 3 O N Ki = 0.7 nM 582.72 CCCCS(=O)(=O)NC(=O)C(CC)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL70686 OBDepict O N H N H H 3 C H O O HO N CH 3 H 3 C H O Ki = 0.76 nM 563.65 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccco3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL73697 OBDepict O N H N H H 3 C H O O HO N CH 3 H 3 C H N O Ki = 0.79 nM 564.64 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccon3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL333972 OBDepict CH 3 O H N H O HO H N H O O O CH 3 CH 3 F IC50 = 0.8 nM 548.61 CCc1cc(F)cc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL72410 OBDepict H 3 C CH 3 N O CH 3 H N H O H O OH N H Ki = 1.0 nM 573.69 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL331625 OBDepict H 3 C O O H N H O OH H N H O O O H 3 C H 3 C IC50 = 1.1 nM 574.67 CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OCCOC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL435385 OBDepict CH 3 O H N H O HO H N H O O O CH 3 H 3 C IC50 = 1.2 nM 544.65 CCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL311854 OBDepict H 3 C S HN O O O N H H CH 3 CH 3 O N H CH 3 O H 3 C CH 3 O N Ki = 1.2 nM 596.75 CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C Homo sapiens CHEMBL671393 single protein format
CHEMBL72410 OBDepict H 3 C CH 3 N O CH 3 H N H O H O OH N H IC50 = 1.3 nM 573.69 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL4431780 cell-based format
CHEMBL339657 OBDepict CH 3 O H N H O OH H N H O O O H 3 C H 3 C IC50 = 1.4 nM 530.62 CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL420729 OBDepict H 3 C H 3 C N H CH 3 O N H H H O OH O O O H 3 C IC50 = 1.5 nM 558.68 CCc1cc(CC)c(NC(=O)CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)[C@@H]2c2ccc(OC)cc2)c(CC)c1 Homo sapiens CHEMBL670478 single protein format
CHEMBL263301 OBDepict CH 3 S NH O O O N H HO CH 3 O N H H 3 C O CH 3 H 3 C O N Ki = 3.2 nM 598.72 CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)O Homo sapiens CHEMBL671393 single protein format
CHEMBL103201 OBDepict H 3 C O O H 3 C O CH 3 O O O OH N N CH 3 CH 3 Ki = 3.21 nM 558.63 COc1cc(CCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc(OC)c1OC Homo sapiens CHEMBL673230 cell-based format
CHEMBL4435789 OBDepict O HN N H S N O O H 3 C H 3 C O CH 3 O O IC50 = 3.5 nM 469.52 Cc1ccc(=O)n([C@@H](C(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1 Homo sapiens CHEMBL4426324 cell-based format
CHEMBL433700 OBDepict H 3 C O O O OH O N N O S CH 3 O O H 3 C H 3 C IC50 = 3.6 nM 576.63 CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(=O)O)c(=O)n(Cc3ccccc3OC)c12)S(C)(=O)=O Homo sapiens CHEMBL673047 cell membrane format
CHEMBL331066 OBDepict CH 3 O H N H O OH H N H O O O H 3 C H 3 C IC50 = 3.8 nM 558.68 CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(CCOC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL307936 OBDepict H 3 C S NH O HO O N H H O CH 3 N N H H N O H H 3 C H H 3 C IC50 = 4.0 nM 585.77 CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(=O)O Homo sapiens CHEMBL677447 cell-based format
CHEMBL421073 OBDepict CH 3 O H N H O OH H N H O O H 3 C O CH 3 IC50 = 4.0 nM 516.59 CCc1cccc(C)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL70310 OBDepict H 3 C CH 3 N O CH 3 H N H O H O OH N N H Ki = 4.4 nM 574.68 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccn3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL8978 OBDepict H 3 C O O HO HN O S O O H 3 C H 3 C O O IC50 = 4.4 nM 539.61 CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL677268 single protein format
CHEMBL316735 OBDepict H 3 C O O CH 3 O O H O OH N N CH 3 CH 3 Ki = 4.75 nM 528.61 COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC Homo sapiens CHEMBL673230 cell-based format
CHEMBL306123 OBDepict H 3 C HN O OH O NH H O N HN N H CH 3 H 3 C N O H H 3 C H CH 3 IC50 = 5.0 nM 580.73 CCCCC(NC(=O)[C@@H](Cc1c(C#N)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(=O)O Homo sapiens CHEMBL677447 cell-based format
CHEMBL8978 OBDepict H 3 C O O HO HN O S O O H 3 C H 3 C O O Ki = 5.4 nM 539.61 CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL673235 cell-based format
CHEMBL286621 OBDepict OH OH O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 5.6 nM 520.58 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CC(O)CO)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL332387 OBDepict CH 3 O H N H O OH H N H O O O O H 3 C H 3 C IC50 = 5.8 nM 532.59 CCc1cccc(OC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL333009 OBDepict H 3 C N H O H 3 C N H H H O OH O O O CH 3 H 3 C IC50 = 6.9 nM 558.68 CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC(C)C)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL102405 OBDepict H 3 C O O CH 3 O O O OH N N CH 3 CH 3 Ki = 7.15 nM 528.61 COc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc1OC Homo sapiens CHEMBL673230 cell-based format
CHEMBL102314 OBDepict CH 3 O H N H O OH H CH 3 H 3 C O O IC50 = 8.4 nM 445.52 COc1ccc([C@@H]2c3nc(CC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 Homo sapiens CHEMBL670652 single protein format
CHEMBL155708 OBDepict CH 3 O O O OH O N N O S CH 3 H 3 C O O CH 3 IC50 = 8.6 nM 562.6 COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2cc(N(C)S(C)(=O)=O)ccc23)cc1 Homo sapiens CHEMBL673047 cell membrane format
CHEMBL320208 OBDepict CH 3 N H H H O OH O O O H 3 C IC50 = 9.1 nM 459.54 CCCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL670652 single protein format
CHEMBL411925 OBDepict H 3 C HO O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 11.0 nM 532.64 CCC(CO)Cc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)O Homo sapiens CHEMBL670651 single protein format
CHEMBL102969 OBDepict CH 3 N H H H O OH O O O H 3 C IC50 = 11.0 nM 445.52 CCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL670652 single protein format
CHEMBL332794 OBDepict CH 3 O H N H O HO H N H O O O CH 3 H 3 C IC50 = 12.0 nM 558.68 CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL160768 OBDepict CH 3 N S O O CH 3 O N O O OH O H 3 C O CH 3 IC50 = 13.0 nM 590.65 CCCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(=O)O)c(=O)n(Cc3ccccc3OC)c12)S(C)(=O)=O Homo sapiens CHEMBL673047 cell membrane format
CHEMBL432856 OBDepict CH 3 O H OH H 3 C H 3 C N H O OH H HN CH 3 H 3 C O O IC50 = 14.0 nM 518.61 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CC(C)(C)O)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL103090 OBDepict CH 3 O H N H O OH H N H 3 C CH 3 H 3 C O O IC50 = 14.0 nM 460.53 COc1ccc([C@@H]2c3nc(N(C)C(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 Homo sapiens CHEMBL670652 single protein format
CHEMBL101424 OBDepict CH 2 N H H H O OH O O O H 3 C IC50 = 14.0 nM 443.5 C=CCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL670652 single protein format
CHEMBL319031 OBDepict H 3 C O N CH 3 N O O O O H 3 C CH 3 O HO Ki = 14.7 nM 544.6 COc1cc(C)nc(OC(C(=O)O)C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1 Homo sapiens CHEMBL673230 cell-based format
CHEMBL48196 OBDepict CH 3 O H H H O O OH O O O H 3 C O OH Ki = 14.7 nM 520.53 CCCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1OCC(=O)O)[C@@H](C(=O)O)[C@@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL673232 cell-based format
CHEMBL4438411 OBDepict HO O O HN N H O S O O S H 3 C O CH 3 IC50 = 15.0 nM 580.68 COc1cccc(Oc2c(NS(=O)(=O)c3ccc(SC)cc3)cc(C(=O)Nc3ccccc3)cc2OCCO)c1 Homo sapiens CHEMBL4426310 cell-based format
CHEMBL331767 OBDepict CH 3 O H N H O HO H N H O O CH 3 H 3 C O IC50 = 16.0 nM 502.57 COc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(C)cccc2C)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL23261 OBDepict CH 3 O O H O HO N N O O CH 3 H 3 C IC50 = 16.0 nM 410.43 COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 Homo sapiens CHEMBL677443 single protein format
CHEMBL102868 OBDepict HO O O O HO N N CH 3 CH 3 Ki = 16.2 nM 484.55 Cc1cc(C)nc(OC(C(=O)O)C(OCCc2ccc(O)cc2)(c2ccccc2)c2ccccc2)n1 Homo sapiens CHEMBL673230 cell-based format
CHEMBL8823 OBDepict CH 3 O H H H O O OH O O O H 3 C O OH Ki = 18.0 nM 520.53 CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)O)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL677268 single protein format
CHEMBL287622 OBDepict OH O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 19.0 nM 490.56 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CCO)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL275471 OBDepict CH 3 O O CH 3 O H 3 C O O O HO N N CH 3 H 3 C Ki = 20.0 nM 570.64 COc1cc(/C=C/COC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc(OC)c1OC Homo sapiens CHEMBL673230 cell-based format
CHEMBL35984 OBDepict HO O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 20.0 nM 504.58 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CCCO)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL435185 OBDepict CH 3 O H N H O HO H N H O O CH 3 O CH 3 H 3 C IC50 = 20.0 nM 530.62 COc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(C)cccc2C(C)C)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL102173 OBDepict CH 3 O H N H O HO H N O O IC50 = 21.0 nM 458.51 COc1ccc([C@@H]2c3nc(N4CCCC4)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 Homo sapiens CHEMBL670652 single protein format
CHEMBL37920 OBDepict H 3 C O H N H HO H 3 C CH 3 O OH H HN CH 3 H 3 C O O IC50 = 23.0 nM 532.64 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CCC(C)(C)O)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL102307 OBDepict H 3 C O O O O OH N N CH 3 O CH 3 Ki = 23.2 nM 514.58 COc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(OC)n2)C(=O)O)cc1 Homo sapiens CHEMBL673230 cell-based format
CHEMBL310919 OBDepict H 3 C S HN O O O N H H CH 3 CH 3 O N H CH 3 O H 3 C CH 3 O N Ki = 24.0 nM 596.75 CCCCS(=O)(=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C Homo sapiens CHEMBL673231 single protein format
CHEMBL103695 OBDepict H 3 C O O O O OH O O OH N N CH 3 CH 3 Ki = 24.0 nM 572.61 COc1cc(CCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)ccc1OCC(=O)O Homo sapiens CHEMBL673230 cell-based format
CHEMBL101069 OBDepict H 3 C O O O O OH N N CH 3 CH 3 Ki = 24.2 nM 498.58 COc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc1 Homo sapiens CHEMBL673230 cell-based format
CHEMBL4559129 OBDepict H 3 C N O CH 3 H HN O S O O H 3 C H 3 C O O Ki = 25.0 nM 510.61 CCCc1nc(C)ccc1O[C@@H](C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL4426324 cell-based format
CHEMBL36627 OBDepict CH 3 O O CH 3 H N H O OH H HN CH 3 H 3 C O O IC50 = 25.0 nM 476.53 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(OC)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL289634 OBDepict CH 3 O CH 3 O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 25.0 nM 532.64 COCC(C)Cc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)O Homo sapiens CHEMBL670651 single protein format
CHEMBL102797 OBDepict H 3 C O O CH 3 O O O OH N N CH 3 CH 3 Ki = 25.1 nM 542.63 CCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc1OC Homo sapiens CHEMBL673230 cell-based format
CHEMBL332627 OBDepict H 3 C O H N H O HO H HN O O O H 3 C CH 3 CH 3 CH 3 IC50 = 26.0 nM 558.68 COc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL349556 OBDepict H 3 C O O O HO O N NH 2 O H 3 C IC50 = 27.0 nM 470.48 COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2cc(N)ccc23)cc1 Homo sapiens CHEMBL673047 cell membrane format
CHEMBL176272 OBDepict CH 3 O N N _ N S O O H 3 C CH 3 H 3 C O N N Cl + Na IC50 = 28.0 nM 576.05 Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Cl)cn2)cc1.[Na+] Homo sapiens CHEMBL670642 assay format
CHEMBL303631 OBDepict CH 3 O N N O CH 3 O H 3 C O OH Ki = 29.0 nM 394.43 COc1cc(C)nc(OC(C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 Homo sapiens CHEMBL677266 tissue-based format
CHEMBL105591 OBDepict CH 3 N H H H O OH O O O H 3 C IC50 = 30.0 nM 431.49 CCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL670652 single protein format
CHEMBL339904 OBDepict H 3 C N O N CH 3 H H H O OH F O O O H 3 C IC50 = 30.0 nM 528.62 CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1 Homo sapiens CHEMBL673048 single protein format
CHEMBL1627023 OBDepict HO N N O O N N _ N S O O CH 3 CH 3 H 3 C H 3 C + Na IC50 = 31.0 nM 571.63 Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(CO)cn2)cc1.[Na+] Homo sapiens CHEMBL677270 cell-based format
CHEMBL262784 OBDepict H 3 C H 3 C S HN O O O N CH 3 O O O NH 2 IC50 = 34.0 nM 533.61 CC(C)c1ccc(S(=O)(=O)NC(=O)C(c2ccc3c(c2)OCO3)c2cn(C)c3cc(C(N)=O)ccc23)cc1 Homo sapiens CHEMBL677443 single protein format
CHEMBL439759 OBDepict H 3 C CH 3 N O CH 3 H HN O H O OH N H Ki = 36.0 nM 497.6 Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 Homo sapiens CHEMBL671393 single protein format
CHEMBL112531 OBDepict CH 3 O N N HN S O O H 3 C CH 3 H 3 C O N N Br IC50 = 38.0 nM 598.52 Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 Homo sapiens CHEMBL677270 cell-based format
CHEMBL348407 OBDepict CH 3 O O O OH O N O O CH 3 CH 3 IC50 = 41.0 nM 485.49 COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3cc(OC)ccc3OC)c3c2oc2ccccc23)cc1 Homo sapiens CHEMBL673047 cell membrane format
CHEMBL448165 OBDepict CH 3 O H N H O OH H HN CH 3 H 3 C O O IC50 = 42.0 nM 446.5 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 Homo sapiens CHEMBL670652 single protein format
CHEMBL287683 OBDepict CH 3 O H CH 3 N H N O O OH H H 3 C CH 3 HN CH 3 H 3 C O O IC50 = 43.0 nM 559.66 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CC(C)C(=O)N(C)C)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL37427 OBDepict CH 3 O N H H 3 C N H O H 3 C O HO H NH H 3 C CH 3 O O IC50 = 43.0 nM 531.61 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CN(C)C(C)=O)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL331758 OBDepict CH 3 O H N H O OH H N H O O O H 3 C H 3 C O HO IC50 = 44.0 nM 574.63 CCc1cc(C(=O)O)cc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL173358 OBDepict HO O N O N HN S O O O H 3 C CH 3 H 3 C N H 3 C IC50 = 44.0 nM 574.66 COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ccncc2)nc1OCC#CCO Homo sapiens CHEMBL670645 cell-based format
CHEMBL38000 OBDepict CH 3 O O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 45.0 nM 490.56 CCOc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)O Homo sapiens CHEMBL670651 single protein format
CHEMBL368828 OBDepict HO O N O N N HN S O O O N H 3 C H 3 C O H 3 C IC50 = 49.0 nM 569.64 COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCC#CCO Homo sapiens CHEMBL670645 cell-based format
CHEMBL177203 OBDepict HO O N O N N HN S O O O H 3 C CH 3 H 3 C O H 3 C IC50 = 50.0 nM 582.68 COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCC#CCO Homo sapiens CHEMBL670645 cell-based format
CHEMBL10016 OBDepict H 3 C O O N O HO O O O O IC50 = 50.0 nM 551.55 COc1cc2c(-c3ccc4c(c3)OCO4)c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c2cc1OCc1ccccc1 Homo sapiens CHEMBL670654 cell-based format
CHEMBL288247 OBDepict OH CH 3 O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 51.0 nM 518.61 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CC(C)CO)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL105494 OBDepict CH 3 S N H H H O OH O O O H 3 C IC50 = 53.0 nM 463.56 CCCSc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL670652 single protein format
CHEMBL100954 OBDepict CH 3 O O O HO N N CH 3 H 3 C Ki = 55.0 nM 482.58 Cc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc1 Homo sapiens CHEMBL673230 cell-based format
CHEMBL302564 OBDepict CH 3 O N N O O H 3 C O OH Ki = 56.0 nM 420.47 COc1nc(OC(C(=O)O)C(OC)(c2ccccc2)c2ccccc2)nc2c1CCC2 Homo sapiens CHEMBL677266 tissue-based format
CHEMBL305980 OBDepict CH 3 O N N O O O H 3 C O OH Ki = 57.0 nM 422.44 COc1nc(OC(C(=O)O)C(OC)(c2ccccc2)c2ccccc2)nc2c1CCO2 Homo sapiens CHEMBL877477 tissue-based format
CHEMBL122832 OBDepict CH 3 O H N H O OH H N H O O O O O CH 3 CH 3 IC50 = 57.0 nM 534.57 COc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(OC)cccc2OC)cc1 Homo sapiens CHEMBL670478 single protein format
CHEMBL320224 OBDepict CH 3 O O H 3 C O O O HO N N CH 3 H 3 C Ki = 60.0 nM 500.55 COc1ccc(OC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc1OC Homo sapiens CHEMBL673230 cell-based format
CHEMBL4447655 OBDepict HO O N O N HN N H O S O O O H 3 C CH 3 H 3 C H 3 C IC50 = 60.0 nM 592.67 COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C(=O)Nc2ccccc2)nc1OCCO Homo sapiens CHEMBL4426310 cell-based format
CHEMBL287711 OBDepict CH 3 O OH H N H O OH H HN CH 3 H 3 C O O IC50 = 62.0 nM 476.53 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(CO)c1 Homo sapiens CHEMBL670651 single protein format
CHEMBL101587 OBDepict H 3 C O O H 3 C O O O OH N N CH 3 CH 3 Ki = 63.0 nM 514.58 COc1ccc(COC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc1OC Homo sapiens CHEMBL673230 cell-based format
CHEMBL432012 OBDepict CH 3 HN N H H H O OH O O O H 3 C IC50 = 63.0 nM 446.5 CCCNc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL670652 single protein format
CHEMBL4455360 OBDepict CH 3 HN S N H O O N N O O Br N N S H 3 C IC50 = 63.0 nM 569.51 CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1 Homo sapiens CHEMBL4426324 cell-based format
CHEMBL430695 OBDepict CH 3 O H N H O OH H O O IC50 = 63.0 nM 429.47 COc1ccc([C@@H]2c3nc(C4CC4)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 Homo sapiens CHEMBL670652 single protein format
CHEMBL9194 OBDepict H 3 C N O N CH 3 H H H O OH O O O H 3 C IC50 = 63.3 nM 510.63 CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 Homo sapiens CHEMBL670477 single protein format
CHEMBL321520 OBDepict CH 3 O N H H H O OH O O O H 3 C IC50 = 65.0 nM 447.49 CCCOc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL670652 single protein format