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P25101 | EDNRA_HUMAN | Endothelin-1 receptor (EDNRA)

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
CHEMBL282628 OBDepict CH 3 N O N N O S N H O O O N H 3 C H 3 C Ki = 0.004 nM 507.57 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCN(C)C2=O)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL29346 OBDepict O N H 3 C N O S N H O O O N H 3 C H 3 C Ki = 0.004 nM 570.67 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CCc2ccccc2)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL112531 OBDepict CH 3 O N N HN S O O H 3 C CH 3 H 3 C O N N Br Ki = 0.0042 nM 598.52 Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 Homo sapiens CHEMBL681519 cell-based format
CHEMBL281977 OBDepict CH 3 N O CH 3 HN S O O N CH 3 N O O N CH 3 Ki = 0.005 nM 595.68 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2cc3ccccc3n2C)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL29972 OBDepict CH 3 CH 3 N O HN S O O N N O O H 3 C H 3 C Ki = 0.005 nM 520.61 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCC(C)(C)C2=O)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL277447 OBDepict O HN H 3 C CH 3 H 3 C N O S N H O O O N H 3 C H 3 C Ki = 0.01 nM 522.63 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNC(=O)CC(C)(C)C)c1C Homo sapiens CHEMBL676594 single protein format
CHEMBL274489 OBDepict CH 3 N O H 3 C CH 3 H 3 C N O S N H O O N O H 3 C H 3 C Ki = 0.01 nM 522.63 Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2N(C)C(=O)CC(C)(C)C)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL440780 OBDepict O N H 3 C N O S N H O O O N H 3 C H 3 C Ki = 0.01 nM 556.64 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)Cc2ccccc2)c1C Homo sapiens CHEMBL678072 cell-based 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 = 0.011 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 CHEMBL682364 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 = 0.011 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 CHEMBL682364 single protein 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 = 0.014 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 CHEMBL682364 single protein format
CHEMBL29793 OBDepict CH 3 N N O S HN O O O N CH 3 CH 3 Ki = 0.02 nM 514.61 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)c2ccccc2)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL294291 OBDepict O HN S S N H O O O N Cl CH 3 H 3 C O H 3 C CH 3 CH 3 IC50 = 0.02 nM 481.98 CC(=O)c1c(C)c(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL60058 OBDepict OH N H 3 C N H CH 3 H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.02 nM 482.97 C/C(=NO)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL281659 OBDepict CH 3 N O H 3 C CH 3 H 3 C N O S HN O O O N CH 3 CH 3 Ki = 0.02 nM 536.65 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(C)(C)C)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL285832 OBDepict CH 3 CH 3 N O HN S O O N N N O F F F Ki = 0.02 nM 543.53 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2Cn2ccc(C(F)(F)F)n2)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL35984 OBDepict HO O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 0.022 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 CHEMBL682364 single protein format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.023 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121477 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 = 0.024 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 CHEMBL682364 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 = 0.027 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 CHEMBL682364 single protein format
CHEMBL60367 OBDepict CH 3 O N H CH 3 H 3 C CH 3 O S S N H O O O N Cl H 3 C IC50 = 0.03 nM 496.01 CCC(=O)c1c(C)c(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL27855 OBDepict H 3 C N O CH 3 CH 3 H 3 C N O S N H O O O N H 3 C H 3 C Ki = 0.03 nM 522.63 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)C(C)(C)C)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL293830 OBDepict CH 3 H 3 C HN O O S S N H O O O N Cl H 3 C IC50 = 0.03 nM 493.99 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)C2CC2)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL304460 OBDepict CH 3 H 3 C S N H O O H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.03 nM 504.01 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(S(C)(=O)=O)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL287622 OBDepict OH O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 0.031 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 CHEMBL682364 single protein format
CHEMBL9194 OBDepict H 3 C N O N CH 3 H H H O OH O O O H 3 C Ki = 0.034 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 CHEMBL678073 cell-based format
CHEMBL128818 OBDepict H 3 C N O N CH 3 H H H O OH F H 3 C O Ki = 0.039 nM 510.65 CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(C)c(F)c1 Homo sapiens CHEMBL681522 single protein format
CHEMBL60149 OBDepict H 3 C O O N H H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.04 nM 469.93 COC(=O)c1cc(C)ccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL282359 OBDepict CH 3 N O N O S HN O O O N CH 3 CH 3 Ki = 0.04 nM 542.62 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2ccccc2)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL416324 OBDepict CH 3 O N H 3 C N H CH 3 H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.04 nM 497.0 CO/N=C(C)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL2113316 OBDepict CH 3 CH 3 O N HN S O O N N O O H 3 C H 3 C Ki = 0.04 nM 520.61 Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCC(C)(C)C2=O)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL19950 OBDepict CH 3 H 3 C N H O H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.04 nM 467.96 CC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL28863 OBDepict H 3 C CH 3 N O H 3 C N O S N H O O O N H 3 C H 3 C Ki = 0.04 nM 508.6 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)C(C)C)c1C Homo sapiens CHEMBL678072 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 = 0.044 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 CHEMBL873596 cell-based format
CHEMBL30405 OBDepict O N H 3 C H 3 C N O S HN O O O N CH 3 CH 3 Ki = 0.045 nM 520.61 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CC(C)(C)CC2=O)c1C Homo sapiens CHEMBL678072 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 = 0.047 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 CHEMBL682364 single protein format
CHEMBL286621 OBDepict OH OH O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 0.048 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 CHEMBL682364 single protein format
CHEMBL281549 OBDepict CH 3 N O F F F N O S HN O O O N CH 3 CH 3 Ki = 0.05 nM 548.54 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(F)(F)F)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL28963 OBDepict H 3 C CH 3 N O N O S N H O O O N CH 3 CH 3 Ki = 0.05 nM 534.64 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C(=O)C(C)C)C2CC2)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL291592 OBDepict H 3 C CH 3 S N H O O H 3 C H 3 C O S S N H O O O N Cl CH 3 IC50 = 0.05 nM 532.07 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(S(=O)(=O)C(C)C)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL62159 OBDepict N N H CH 3 H 3 C CH 3 O S S N H O O O N Cl H 3 C IC50 = 0.05 nM 464.96 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C#N)c1C Homo sapiens CHEMBL679122 single protein format
CHEMBL289216 OBDepict OH O CH 3 O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 0.057 nM 520.58 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(OC(C)CO)c1 Homo sapiens CHEMBL682364 single protein format
CHEMBL288247 OBDepict OH CH 3 O H CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 0.059 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 CHEMBL682364 single protein format
CHEMBL62112 OBDepict CH 3 O N H CH 3 H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.06 nM 481.98 CCC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL62019 OBDepict H 3 C S O O N H H 3 C CH 3 O S S N H O O O N Cl CH 3 IC50 = 0.06 nM 532.07 CCCS(=O)(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL287711 OBDepict CH 3 O OH H N H O OH H HN CH 3 H 3 C O O IC50 = 0.062 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 CHEMBL682364 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 = 0.065 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 CHEMBL682364 single protein format
CHEMBL8923 OBDepict H 3 C N O N CH 3 O OH O O O CH 3 Ki = 0.069 nM 510.63 CCCCN(CCCC)C(=O)CN1CC(c2ccc3c(c2)OCO3)C(C(=O)O)C1c1ccc(OC)cc1 Homo sapiens CHEMBL678073 cell-based format
CHEMBL29223 OBDepict H 3 C O N NH N O S N H O O O N H 3 C H 3 C Ki = 0.07 nM 505.56 Cc1cc(NCc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)no1 Homo sapiens CHEMBL678072 cell-based format
CHEMBL325581 OBDepict Cl S N O O N H 3 C H H H O HO F O O O H 3 C IC50 = 0.07 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 CHEMBL873596 cell-based format
CHEMBL300577 OBDepict CH 3 H 3 C N H N O CH 3 H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.07 nM 497.0 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)N(C)C)c1 Homo sapiens CHEMBL679122 single protein 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 = 0.077 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 CHEMBL873596 cell-based 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 = 0.078 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 CHEMBL873596 cell-based format
CHEMBL432521 OBDepict CH 3 H 3 C N H O H 3 C O S S N H O O O N H 3 C H 3 C IC50 = 0.08 nM 447.54 CC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C Homo sapiens CHEMBL679122 single protein format
CHEMBL58359 OBDepict N N H CH 3 H 3 C CH 3 O S S N H O O O N H 3 C H 3 C IC50 = 0.08 nM 444.54 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C#N)c1C Homo sapiens CHEMBL679122 single protein format
CHEMBL299921 OBDepict CH 3 H 3 C N H N O O S S N H O O O N Cl H 3 C IC50 = 0.08 nM 492.97 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(-c2ncco2)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL69986 OBDepict H 3 C O O O O H 3 C O H 3 C HO O O O O O H 3 C IC50 = 0.09 nM 592.6 COC(=O)CCCOc1cc(CC2=C(c3ccc4c(c3)OCO4)C(=O)OC2(O)c2ccc(OC)cc2)cc(OC)c1OC Homo sapiens CHEMBL677308 single protein format
CHEMBL293398 OBDepict CH 3 H 3 C Cl N H O S S N H O O O N Cl H 3 C IC50 = 0.09 nM 460.36 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(Cl)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL305602 OBDepict CH 3 CH 3 HN O S O O O H 3 C S S N H O O O N Cl CH 3 IC50 = 0.1 nM 546.05 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)CS(C)(=O)=O)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL4467748 OBDepict CH 3 N H S NH O O N N O O Br N N S CH 3 IC50 = 0.1 nM 555.48 CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1 Homo sapiens CHEMBL4426323 cell-based format
CHEMBL19661 OBDepict N CH 3 H 3 C N H H 3 C O S S N H O O N O Cl H 3 C IC50 = 0.1 nM 478.98 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2noc(C)c2Cl)c(C)c1CC#N Homo sapiens CHEMBL682969 single protein format
CHEMBL448165 OBDepict CH 3 O H N H O OH H HN CH 3 H 3 C O O IC50 = 0.1 nM 446.5 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 Homo sapiens CHEMBL682365 single protein 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 = 0.11 nM 510.61 CCCc1nc(C)ccc1O[C@@H](C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL4426323 cell-based format
CHEMBL59819 OBDepict H 3 C O H 3 C O N H H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.11 nM 497.98 Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)OC(C)C)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL1272244 OBDepict H 3 C O N O O HO O CH 3 O O OH IC50 = 0.11 nM 543.57 CCCOc1ccc2c(c1)c(=O)c(Cc1cccc(C(=O)O)c1)c(C(=O)O)n2Cc1cc2c(cc1CC)OCO2 Homo sapiens CHEMBL1272362 cell-based format
CHEMBL290181 OBDepict CH 3 O O H CH 3 CH 3 N H O OH H HN CH 3 H 3 C O O IC50 = 0.11 nM 504.58 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(OC(C)C)c1 Homo sapiens CHEMBL682364 single protein format
CHEMBL8923 OBDepict H 3 C N O N CH 3 O OH O O O CH 3 IC50 = 0.11 nM 510.63 CCCCN(CCCC)C(=O)CN1CC(c2ccc3c(c2)OCO3)C(C(=O)O)C1c1ccc(OC)cc1 Homo sapiens CHEMBL682972 cell-based format
CHEMBL303631 OBDepict CH 3 O N N O CH 3 O H 3 C O OH Ki = 0.12 nM 394.43 COc1cc(C)nc(OC(C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 Homo sapiens CHEMBL678557 cell-based format
CHEMBL277706 OBDepict CH 3 H 3 C N H O CH 3 H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.12 nM 496.01 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)C(C)C)c1 Homo sapiens CHEMBL682969 single protein format
CHEMBL417067 OBDepict CH 3 O O O CH 3 CH 3 OH O O O O O CH 3 IC50 = 0.12 nM 548.59 CCOc1cc(CC2=C(c3ccc4c(c3)OCO4)C(=O)OC2(O)c2ccc(OC)cc2)cc(OCC)c1OCC Homo sapiens CHEMBL682105 cell-based format
CHEMBL432012 OBDepict CH 3 HN N H H H O OH O O O H 3 C IC50 = 0.12 nM 446.5 CCCNc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL682365 single protein format
CHEMBL8978 OBDepict H 3 C O O HO HN O S O O H 3 C H 3 C O O Ki = 0.13 nM 539.61 CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL678073 cell-based format
CHEMBL109648 OBDepict OH O N O N HN S O O O N H 3 C N H 3 C N N N N H Ki = 0.13 nM 577.58 COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO Homo sapiens CHEMBL678074 cell-based format
CHEMBL19921 OBDepict O S S N H O O O N Cl CH 3 H 3 C H 3 C OH CH 3 IC50 = 0.14 nM 454.96 Cc1cc(C)c(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1O Homo sapiens CHEMBL682969 single protein format
CHEMBL18626 OBDepict N CH 3 H 3 C N H H 3 C O S S N H O O O N Cl H 3 C IC50 = 0.14 nM 478.98 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1CC#N Homo sapiens CHEMBL682969 single protein format
CHEMBL60276 OBDepict CH 3 H 3 C N H O H 2 N O S S N H O O O N Cl H 3 C IC50 = 0.14 nM 468.94 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(N)=O)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL29464 OBDepict CH 3 CH 3 N O HN S O O N H N O N N Ki = 0.15 nM 502.56 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNc2ccncn2)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL431296 OBDepict H 3 C N F F F N O S N H O O O N H 3 C H 3 C Ki = 0.15 nM 520.53 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)CC(F)(F)F)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL277595 OBDepict CH 3 H 3 C H 3 C N H O S S N H O O O N Cl H 3 C IC50 = 0.15 nM 439.95 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1 Homo sapiens CHEMBL679122 single protein format
CHEMBL25438 OBDepict CH 3 O O O _ O O O O O CH 3 O CH 3 H 3 C + Na Ki = 0.17 nM 528.49 COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(C(=O)[O-])c2ccc3c(c2)OCO3)cc1.[Na+] Homo sapiens CHEMBL678074 cell-based format
CHEMBL8981 OBDepict CH 3 O OH O O O O O CH 3 O H 3 C O CH 3 Ki = 0.17 nM 506.51 COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL678073 cell-based format
CHEMBL110053 OBDepict H 3 C N O N H 3 C H H H N O HO O O O IC50 = 0.17 nM 515.65 CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CCN1CCCC1=O Homo sapiens CHEMBL681508 cell-based format
CHEMBL279471 OBDepict N CH 3 H 3 C N H H 3 C O S S N H O O O N H 3 C H 3 C IC50 = 0.17 nM 458.57 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1CC#N Homo sapiens CHEMBL682969 single protein format
CHEMBL128818 OBDepict H 3 C N O N CH 3 H H H O OH F H 3 C O IC50 = 0.18 nM 510.65 CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(C)c(F)c1 Homo sapiens CHEMBL682102 cell-based format
CHEMBL280659 OBDepict O HN S S N H O O O N Cl CH 3 H 3 C H 3 C OH CH 3 IC50 = 0.19 nM 455.95 Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1O Homo sapiens CHEMBL682969 single protein format
CHEMBL8823 OBDepict CH 3 O H H H O O OH O O O H 3 C O OH Ki = 0.2 nM 520.53 CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)O)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL682100 single protein format
CHEMBL29422 OBDepict H 3 C NH O N O S N H O O O N H 3 C H 3 C Ki = 0.2 nM 466.52 CC(=O)NCc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL284656 OBDepict CH 3 N O H 3 C N O S N H O O O N H 3 C H 3 C Ki = 0.2 nM 480.55 CC(=O)N(C)Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL282303 OBDepict H 3 C CH 3 O N O S HN O O O N CH 3 CH 3 Ki = 0.2 nM 481.57 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2COCC(C)C)c1C Homo sapiens CHEMBL678072 cell-based format
CHEMBL308646 OBDepict H 3 C O O O O H 3 C O H 3 C HO O O O O O H 3 C IC50 = 0.2 nM 564.54 COC(=O)COc1cc(CC2=C(c3ccc4c(c3)OCO4)C(=O)OC2(O)c2ccc(OC)cc2)cc(OC)c1OC Homo sapiens CHEMBL677308 single protein format
CHEMBL4553625 OBDepict CH 3 O HN S N H O O N N O O Br N N S H 3 C IC50 = 0.2 nM 571.48 COCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1 Homo sapiens CHEMBL4426323 cell-based format
CHEMBL101424 OBDepict CH 2 N H H H O OH O O O H 3 C IC50 = 0.2 nM 443.5 C=CCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL682365 single protein format
CHEMBL294563 OBDepict H 3 C S S HN O N H O O O N Cl CH 3 H 3 C O H 3 C CH 3 IC50 = 0.21 nM 481.98 CC(=O)c1cc(C)cc(C)c1NC(=O)c1sc(C)cc1S(=O)(=O)Nc1onc(C)c1Cl Homo sapiens CHEMBL679122 single protein format
CHEMBL102969 OBDepict CH 3 N H H H O OH O O O H 3 C IC50 = 0.21 nM 445.52 CCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 Homo sapiens CHEMBL682365 single protein format
CHEMBL36671 OBDepict CH 3 O OH H N H O HO H NH H 3 C CH 3 O O IC50 = 0.22 nM 462.5 COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(O)c1 Homo sapiens CHEMBL682364 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 = 0.26 nM 539.61 CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL682100 single protein format
CHEMBL304762 OBDepict CH 3 O OH O O O O O CH 3 O O CH 3 O OH IC50 = 0.29 nM 578.57 COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCC(=O)O)c2)cc1 Homo sapiens CHEMBL677308 single protein format
CHEMBL432974 OBDepict CH 3 N O N H 3 C H H H CH 3 CH 3 CH 3 O HO O O IC50 = 0.29 nM 502.7 CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC Homo sapiens CHEMBL681508 cell-based format
CHEMBL109778 OBDepict H 3 C N O N CH 3 H H H O OH N O O IC50 = 0.29 nM 509.65 CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CCc1ccccn1 Homo sapiens CHEMBL681508 cell-based format
CHEMBL109926 OBDepict CH 3 N O N CH 3 H H H CH 3 CH 3 CH 3 O OH O O H 3 C O IC50 = 0.29 nM 530.71 C/C=CC(C)(C)C[C@H]1[C@H](C(=O)O)[C@@H](c2cc(OC)c3c(c2)OCO3)CN1CC(=O)N(CCCC)CCCC Homo sapiens CHEMBL681508 cell-based format