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P13945 | ADRB3_HUMAN | Beta-3 adrenergic receptor (ADRB3)

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
CHEMBL1257675 OBDepict CH 3 O OH O OH NH N N N S Ki = 1.0 nM 520.66 COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O Homo sapiens CHEMBL1261324 cell-based format
CHEMBL442225 OBDepict H 2 N S HN O O HO H N H CH 3 H N H S O O CH 3 Ki = 1.1 nM 542.68 C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 Homo sapiens CHEMBL839161 single protein format
CHEMBL105758 OBDepict F O F N H H OH H HN HO S O O CH 3 Ki = 2.0 nM 542.6 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c3ccccc23)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL186247 OBDepict H 2 N S HN O O OH H N H N H S O O H 3 C Ki = 2.6 nM 528.66 CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 Homo sapiens CHEMBL839161 single protein format
CHEMBL250978 OBDepict CH 3 O O H 3 C HN H OH H O N H HO S O O CH 3 Ki = 3.0 nM 528.63 COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)CC(=O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL723 OBDepict H 3 C O O N H HO O N H Ki = 3.116 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909093 cell membrane format
CHEMBL184407 OBDepict H N O S N H CH 3 H O O H 3 C HO H HN S O O S Ki = 4.0 nM 549.7 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Homo sapiens CHEMBL839161 single protein format
CHEMBL723 OBDepict H 3 C O O N H HO O N H IC50 = 4.155 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909093 cell membrane format
CHEMBL401135 OBDepict F O F HN H OH H O HN OH S O O CH 3 Ki = 5.0 nM 534.58 CS(=O)(=O)Nc1cc(C(=O)C[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O Homo sapiens CHEMBL888301 cell-based format
CHEMBL399329 OBDepict CH 3 O O H 3 C N H H OH H N H HO S O O CH 3 Ki = 6.0 nM 500.62 COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL250755 OBDepict CH 3 O O H 3 C N H H OH H Cl N H HO S O O CH 3 Ki = 6.0 nM 535.06 COc1ccc([C@@H](Cc2cccc(Cl)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL437578 OBDepict CH 3 O O H 3 C N H H Cl OH H N H HO S O O CH 3 Ki = 7.0 nM 535.06 COc1ccc([C@@H](Cc2ccccc2Cl)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL250191 OBDepict CH 3 O N H CH 3 CH 3 OH H N H HO S O O CH 3 Ki = 7.0 nM 394.49 COc1ccc(C(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 Homo sapiens CHEMBL888301 cell-based format
CHEMBL447786 OBDepict H 3 C O O H 3 C N H H OH H Cl N H HO S O O CH 3 Ki = 7.0 nM 549.09 COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL1257555 OBDepict OH OH O OH NH N N N S Ki = 7.3 nM 506.63 OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O Homo sapiens CHEMBL1261324 cell-based format
CHEMBL321518 OBDepict OH N H S O O CH 3 HO H NH H O O Ki = 8.0 nM 470.55 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL400947 OBDepict CH 3 O OH N H H OH H N H HO S O O CH 3 Ki = 8.0 nM 486.59 COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O Homo sapiens CHEMBL888301 cell-based format
CHEMBL1257913 OBDepict OH O N H OH N N N S Ki = 8.5 nM 476.6 Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL323938 OBDepict H 3 C O HN H 3 C HN O OH H Cl N H HO S O O CH 3 Ki = 8.8 nM 534.03 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL400067 OBDepict H 3 C O O H 3 C N H H OH H N H HO S O O CH 3 Ki = 9.0 nM 514.64 COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL317648 OBDepict F O F N H H 3 C OH H N H HO S O O CH 3 Ki = 9.0 nM 506.57 C[C@](Cc1ccccc1)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC(F)F)cc1 Homo sapiens CHEMBL652054 cell-based format
CHEMBL1257797 OBDepict CH 3 OH O OH NH N N N S Ki = 9.0 nM 504.66 CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O Homo sapiens CHEMBL1261324 cell-based format
CHEMBL60116 OBDepict F O F N H H OH H Cl HN HO S O O CH 3 Ki = 9.0 nM 526.99 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2cccc(Cl)c2)c2ccc(OC(F)F)cc2)ccc1O Homo sapiens CHEMBL652051 single protein format
CHEMBL398557 OBDepict CH 3 O O H 3 C N H H OH H N H HO S O O CH 3 Ki = 9.0 nM 500.62 COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL317621 OBDepict CH 3 O O CH 3 N H H OH H N H HO S O O CH 3 Ki = 11.0 nM 486.59 COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL652585 cell-based format
CHEMBL1258023 OBDepict H 3 C O O OH HN N N N S Ki = 11.0 nM 490.63 COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL332529 OBDepict H 3 C O N H CH 3 HN O OH H N S N H CH 3 HO S O O CH 3 Ki = 11.0 nM 570.69 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3sc(C)nc3c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL1258025 OBDepict OH O N H N N N S S Ki = 11.0 nM 466.63 OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL251764 OBDepict H 3 C O O H 3 C N H H OH H Cl N H HO S O O CH 3 Ki = 12.0 nM 549.09 COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL361505 OBDepict CH 3 O N H N H CH 3 H OH H N H S O O S Ki = 14.0 nM 485.63 COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Homo sapiens CHEMBL839160 single protein format
CHEMBL119120 OBDepict H 3 C O HN H 3 C HN O OH H O N H HO S O O CH 3 Ki = 14.0 nM 591.69 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL1258257 OBDepict OH O N H F N N N S Ki = 14.0 nM 478.59 OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F Homo sapiens CHEMBL1261324 cell-based format
CHEMBL102611 OBDepict H 3 C O N O H 3 C N H H OH H N H HO S O O CH 3 Ki = 15.0 nM 487.58 COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)n1 Homo sapiens CHEMBL652054 cell-based format
CHEMBL1255596 OBDepict OH O N H N N N S Ki = 17.0 nM 460.6 OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL188196 OBDepict HO O O N H N H CH 3 H OH H HN S O O S Ki = 17.0 nM 529.64 C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Homo sapiens CHEMBL839160 single protein format
CHEMBL434223 OBDepict CH 3 O HN CH 3 NH O OH H O N H H 3 C HO S O O CH 3 Ki = 17.0 nM 529.62 COc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL115628 OBDepict CH 3 O HN CH 3 NH O OH H Cl N H HO S O O CH 3 Ki = 17.0 nM 534.03 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL1258258 OBDepict OH O N H F N N N S Ki = 17.0 nM 478.59 OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL250553 OBDepict F O F O N H H F F OH H N H OH S O O CH 3 Ki = 19.0 nM 572.58 CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O Homo sapiens CHEMBL888301 cell-based format
CHEMBL119533 OBDepict CH 3 O HN CH 3 NH O OH H Br N H HO S O O CH 3 Ki = 19.0 nM 578.49 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Br)c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL293994 OBDepict F F N S S HN O O NH OH H N IC50 = 20.0 nM 592.69 O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 Homo sapiens CHEMBL648171 cell-based format
CHEMBL102222 OBDepict CH 3 O HN CH 3 OH H O H 3 C N H HO S O O CH 3 Ki = 20.0 nM 486.59 COc1ccc(C(C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL652585 cell-based format
CHEMBL326820 OBDepict CH 3 N H O N H O N H H 3 C OH H O CH 3 N H HO S O O CH 3 Ki = 20.0 nM 584.69 CCCNC(=O)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL322862 OBDepict F O F N H H OH H HN HO S O O CH 3 Ki = 21.0 nM 492.54 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL116294 OBDepict H 3 C O HN H 3 C HN O OH H OH N H HO S O O CH 3 Ki = 23.0 nM 515.59 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(O)cc2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL1257915 OBDepict OH O N H N N N S F Ki = 23.0 nM 478.59 OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL429665 OBDepict CH 3 O O H 3 C N H H OH H Cl N H HO S O O CH 3 Ki = 24.0 nM 535.06 COc1ccc([C@@H](Cc2ccc(Cl)cc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL118121 OBDepict H 3 C O HN H 3 C HN O OH H Cl Cl N H HO S O O CH 3 Ki = 24.0 nM 568.48 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL248548 OBDepict CH 3 O O H 3 C N H H OH H N H HO S O O CH 3 Ki = 25.0 nM 500.62 COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL102580 OBDepict H 3 C O N N H H OH H N H HO S O O CH 3 Ki = 25.0 nM 457.55 COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cn1 Homo sapiens CHEMBL652054 cell-based format
CHEMBL317920 OBDepict H 3 C O N H H OH H N H HO S O O CH 3 Ki = 26.0 nM 506.62 COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccccc12 Homo sapiens CHEMBL652054 cell-based format
CHEMBL119786 OBDepict H 3 C O HN H 3 C HN O OH H CH 3 N H HO S O O CH 3 Ki = 28.0 nM 513.62 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(C)cc2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL398241 OBDepict CH 3 O O H 3 C N H H OH H Cl N H HO S O O CH 3 Ki = 29.0 nM 549.09 COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL888301 cell-based format
CHEMBL185836 OBDepict H N N H CH 3 H HO H N H S O O S Ki = 30.0 nM 455.61 C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Homo sapiens CHEMBL839160 single protein format
CHEMBL1257676 OBDepict H 3 C O HO OH HN N N N S Ki = 30.0 nM 504.66 CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL251347 OBDepict H 3 C O N H H OH H N H HO S O O CH 3 Ki = 31.0 nM 484.62 COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 Homo sapiens CHEMBL888301 cell-based format
CHEMBL102891 OBDepict CH 3 O O CH 3 HN OH N H HO S O O CH 3 Ki = 33.0 nM 486.59 COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC Homo sapiens CHEMBL652585 cell-based format
CHEMBL333334 OBDepict H 3 C O N H H N H O OH H O O N H OH S O O CH 3 Ki = 33.0 nM 529.57 COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL188622 OBDepict H N O S N H O O CH 3 HO H NH S O O S Ki = 33.0 nM 535.67 CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Homo sapiens CHEMBL839161 single protein format
CHEMBL117405 OBDepict H 3 C NH CH 3 OH H O N H Ki = 36.0 nM 248.33 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909093 cell membrane format
CHEMBL1258824 OBDepict OH O N H NH N O NH 2 N N S Ki = 37.0 nM 518.64 NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL319687 OBDepict F O F O N H H F F OH H HN HO S O O CH 3 Ki = 38.0 nM 558.55 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL1258599 OBDepict OH O N H N N S N Ki = 41.0 nM 384.51 OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL1258024 OBDepict CH 3 O O OH NH N N N S Ki = 42.0 nM 490.63 COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL431638 OBDepict OH N H S O O CH 3 OH H NH H Ki = 43.0 nM 476.6 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2cccc3ccccc23)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL102928 OBDepict CH 3 O N H OH N H HO S O O CH 3 Ki = 44.0 nM 456.56 COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 Homo sapiens CHEMBL652054 cell-based format
CHEMBL116715 OBDepict H 3 C O N H H OH H N H HO S O O CH 3 Ki = 44.0 nM 456.56 COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL332632 OBDepict CH 3 O N H H 3 C N H O HO H O O CH 3 NH CH 3 OH S O O H 3 C Ki = 46.0 nM 559.64 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OC)c(OC)c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL115627 OBDepict H 3 C O HN H 3 C HN O OH H F Cl N H HO S O O CH 3 Ki = 47.0 nM 552.02 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2F)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL1258705 OBDepict N O OH NH N N N S Ki = 47.0 nM 485.61 N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL117405 OBDepict H 3 C NH CH 3 OH H O N H IC50 = 48.0 nM 248.33 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909093 cell membrane format
CHEMBL1258371 OBDepict OH O OH NH N N N S Ki = 49.0 nM 490.63 OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL251581 OBDepict CH 3 O N H H OH H N H HO S O O CH 3 Ki = 53.0 nM 470.59 COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 Homo sapiens CHEMBL888301 cell-based format
CHEMBL251555 OBDepict F O F O N H H F F OH H N H OH S O O CH 3 Ki = 59.0 nM 586.6 CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O Homo sapiens CHEMBL888301 cell-based format
CHEMBL1258142 OBDepict OH O N H O N F F F N N S Ki = 59.0 nM 544.6 OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL115538 OBDepict CH 3 O HN CH 3 NH O OH H CH 3 N H HO S O O CH 3 Ki = 61.0 nM 513.62 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C)c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL1258143 OBDepict OH OH O OH NH N N N S S Ki = 62.0 nM 512.66 OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O Homo sapiens CHEMBL1261324 cell-based format
CHEMBL1258484 OBDepict CH 3 O OH NH N N N S Ki = 63.0 nM 488.66 CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL1258704 OBDepict OH O N H CH 3 CH 3 N N N S Ki = 64.0 nM 502.68 CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL500 OBDepict OH O HN CH 3 CH 3 N H Ki = 66.0 nM 248.33 CC(C)NCC(O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909093 cell membrane format
CHEMBL104905 OBDepict F O F H 3 C N H H OH H N H HO S O O CH 3 Ki = 69.0 nM 506.57 Cc1cc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1OC(F)F Homo sapiens CHEMBL652054 cell-based format
CHEMBL105475 OBDepict OH NH S O O CH 3 OH H HN O Ki = 70.0 nM 532.66 CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL103147 OBDepict CH 3 O O H 3 C N H OH N H HO S O O CH 3 Ki = 70.0 nM 486.59 COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)c1 Homo sapiens CHEMBL652585 cell-based format
CHEMBL274494 OBDepict OH N H S O O CH 3 OH H N H H O NH 2 Ki = 70.0 nM 469.56 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C(N)=O)cc2)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL117737 OBDepict CH 3 O HN CH 3 NH O OH H Cl Cl N H HO S O O CH 3 Ki = 71.0 nM 568.48 COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL1082501 OBDepict HO N O N H N Ki = 72.0 nM 415.54 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 Homo sapiens CHEMBL1120619 cell-based format
CHEMBL1257554 OBDepict HO O HO OH HN N N N S Ki = 72.0 nM 506.63 OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL319186 OBDepict NH 2 O N H H OH H HN HO S O O CH 3 Ki = 74.0 nM 483.59 CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(CC(N)=O)cc2)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL1257916 OBDepict OH O N H N HO N N S F Ki = 75.0 nM 494.59 Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL1258026 OBDepict OH O N H N OH N N S S Ki = 76.0 nM 482.63 Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL117577 OBDepict H 3 C O HN H HN O OH H N H HO S O O CH 3 Ki = 77.0 nM 485.56 COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 Homo sapiens CHEMBL652052 cell-based format
CHEMBL102836 OBDepict CH 3 O N H OH H O H 3 C N H HO S O O CH 3 Ki = 81.0 nM 472.56 COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL652585 cell-based format
CHEMBL103131 OBDepict F O F HN CH 3 OH H O F F N H HO S O O CH 3 Ki = 81.0 nM 558.55 CC(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 Homo sapiens CHEMBL652585 cell-based format
CHEMBL104988 OBDepict OH NH S O O CH 3 OH H N H O F F F Ki = 84.0 nM 524.56 CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OCC(F)(F)F)cc2)ccc1O Homo sapiens CHEMBL652054 cell-based format
CHEMBL1258825 OBDepict OH O N H NH N O CH 3 N N S Ki = 85.0 nM 517.66 CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL105004 OBDepict CH 3 O O N H H OH H N H HO S O O CH 3 Ki = 85.0 nM 484.57 COC(=O)c1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 Homo sapiens CHEMBL652054 cell-based format
CHEMBL1258597 OBDepict H 2 C O OH HN N N N S Ki = 86.0 nM 500.67 C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL500 OBDepict OH O HN CH 3 CH 3 N H IC50 = 88.0 nM 248.33 CC(C)NCC(O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909093 cell membrane format
CHEMBL1258370 OBDepict OH O N H N F N N S Ki = 88.0 nM 478.59 OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 Homo sapiens CHEMBL1261324 cell-based format
CHEMBL118216 OBDepict H 3 C O HN H HN O OH H Cl N H HO S O O CH 3 Ki = 89.0 nM 520.01 COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL652052 cell-based format