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P34995 | PE2R1_HUMAN | Prostaglandin E2 receptor EP1 subtype (PTGER1)

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
CHEMBL3127163 OBDepict OH O N S N N F F F Ki = 0.45 nM 389.36 O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)cc32)n1 Homo sapiens CHEMBL3131139 single protein format
CHEMBL3127163 OBDepict OH O N S N N F F F IC50 = 0.6 nM 389.36 O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)cc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3092131 OBDepict OH O N S N N IC50 = 0.9 nM 359.41 O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2C3)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127157 OBDepict CH 3 N N S N O HO IC50 = 1.0 nM 335.39 Cc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127159 OBDepict H 3 C O N N S N O OH IC50 = 1.1 nM 351.39 COc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL548 OBDepict H 3 C HO H H H HO H O O HO IC50 = 1.1 nM 352.47 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL1120700 single protein format
CHEMBL3127156 OBDepict F N N S N O OH IC50 = 2.0 nM 339.35 O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(F)cc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3092133 OBDepict OH O N S N N IC50 = 2.0 nM 373.44 O=C(O)c1csc(-n2nc3c(c2-c2ccccc2)CCc2ccccc2-3)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127175 OBDepict OH O N S N N IC50 = 2.4 nM 321.36 O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL182368 OBDepict Cl O S N HO F F F Ki = 3.0 nM 475.92 OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)C(F)(F)F Homo sapiens CHEMBL839470 single protein format
CHEMBL184947 OBDepict Cl O S N O HO Ki = 3.0 nM 421.91 O=C(O)c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL839470 single protein format
CHEMBL180046 OBDepict O NH S O Cl Ki = 4.0 nM 510.06 O=C(Cc1ccccc1)Nc1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL839470 single protein format
CHEMBL185346 OBDepict Cl O S N HO HO F F F Ki = 4.0 nM 491.92 OC(O)(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)C(F)(F)F Homo sapiens CHEMBL839470 single protein format
CHEMBL362543 OBDepict Cl O S O HO Ki = 4.0 nM 420.92 O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL839470 single protein format
CHEMBL3127167 OBDepict H 3 C O N N S N O HO IC50 = 4.0 nM 351.39 COc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127170 OBDepict OH O N S N N IC50 = 4.0 nM 325.39 O=C(O)c1csc(-n2nc(C3=CCCCC3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127164 OBDepict F N N S N O OH IC50 = 4.5 nM 339.35 O=C(O)c1csc(-n2nc(-c3ccc(F)cc3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL413509 OBDepict CH 3 OH H H N H HO O O OH Ki = 4.5 nM 353.46 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O Homo sapiens CHEMBL763182 single protein format
CHEMBL362543 OBDepict Cl O S O HO IC50 = 5.0 nM 420.92 O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL870036 cell-based format
CHEMBL362851 OBDepict Cl O S N O HO Ki = 6.0 nM 421.9 O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)n1 Homo sapiens CHEMBL839470 single protein format
CHEMBL257997 OBDepict H 3 C CH 3 N S N Cl O _ O + Na IC50 = 6.3 nM 356.81 CC(C)Cc1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12.[Na+] Homo sapiens CHEMBL931249 cell-based format
CHEMBL3092130 OBDepict NH 2 N N S N O HO Ki = 8.0 nM 362.41 Nc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 Homo sapiens CHEMBL3095967 single protein format
CHEMBL2113029 OBDepict Cl O S S O O NH 2 Ki = 8.0 nM 455.99 NS(=O)(=O)c1cccc(-c2ccsc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL839470 single protein format
CHEMBL360592 OBDepict Cl O S N H O CH 3 N Ki = 9.0 nM 525.07 CC(NC(=O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)c1cccnc1 Homo sapiens CHEMBL839470 single protein format
CHEMBL548 OBDepict H 3 C HO H H H HO H O O HO Ki = 9.1 nM 352.47 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL888228 cell-based format
CHEMBL3127166 OBDepict Cl N N S N O OH IC50 = 12.0 nM 355.81 O=C(O)c1csc(-n2nc(-c3ccc(Cl)cc3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL184779 OBDepict Cl O S O HO Ki = 15.0 nM 434.94 O=C(O)Cc1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL839470 single protein format
CHEMBL467510 OBDepict CH 3 CH 3 O Cl N O _ O + Na IC50 = 16.0 nM 403.84 CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1.[Na+] Homo sapiens CHEMBL1010712 single protein format
CHEMBL3127177 OBDepict OH O N S N N IC50 = 16.0 nM 325.39 O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2CCCC3)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127173 OBDepict OH O N S N N N IC50 = 16.0 nM 328.4 O=C(O)c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127161 OBDepict NH 2 N N S N O HO IC50 = 19.0 nM 336.38 Nc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3092153 OBDepict Br N N S N O OH IC50 = 20.0 nM 426.3 O=C(O)c1csc(-n2nc(-c3ccccc3)c(Br)c2-c2ccccc2)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3092130 OBDepict NH 2 N N S N O HO IC50 = 20.0 nM 362.41 Nc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3092132 OBDepict OH O N S N N O IC50 = 20.0 nM 361.38 O=C(O)c1csc(-n2nc(-c3ccccc3)c3oc4ccccc4c32)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127165 OBDepict F N N S N O OH IC50 = 20.0 nM 339.35 O=C(O)c1csc(-n2nc(-c3cccc(F)c3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL182623 OBDepict N HO N S O Cl Ki = 23.0 nM 432.93 N#CC(O)c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL839470 single protein format
CHEMBL234398 OBDepict CH 3 O N H O N S O O H 3 C CH 3 IC50 = 25.0 nM 452.58 CCc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 Homo sapiens CHEMBL896726 cell-based format
CHEMBL3092151 OBDepict F N N S N O OH IC50 = 30.0 nM 365.39 O=C(O)c1csc(-n2nc(-c3ccccc3)c(F)c2-c2ccccc2)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127171 OBDepict OH O N S N N S IC50 = 30.0 nM 327.39 O=C(O)c1csc(-n2nc(-c3ccsc3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127174 OBDepict H 3 C N N N S N O HO IC50 = 32.0 nM 342.42 CC1CCN(c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)CC1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127152 OBDepict OH O N S N N N IC50 = 39.0 nM 322.35 O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccncc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3092140 OBDepict F N CH 3 N S N O HO IC50 = 50.0 nM 379.42 Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccc(F)c1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127162 OBDepict H 3 C N H N N S N O OH IC50 = 50.0 nM 350.4 CNc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL2442495 OBDepict CH 3 N N S N O HO IC50 = 50.0 nM 361.43 Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL182662 OBDepict Cl O S HN S O O Ki = 52.0 nM 546.11 O=S(=O)(Cc1ccccc1)Nc1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 Homo sapiens CHEMBL839470 single protein format
CHEMBL328067 OBDepict O N H S O O N O Ki = 57.0 nM 586.71 O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 Homo sapiens CHEMBL766140 single protein format
CHEMBL3092155 OBDepict OH N N S N O OH IC50 = 60.0 nM 363.4 O=C(O)c1csc(-n2nc(-c3ccccc3)c(O)c2-c2ccccc2)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3092152 OBDepict Cl N N S N O OH IC50 = 60.0 nM 381.84 O=C(O)c1csc(-n2nc(-c3ccccc3)c(Cl)c2-c2ccccc2)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL234600 OBDepict CH 3 O O O N S O O H 3 C CH 3 IC50 = 63.0 nM 453.56 CCc1ccccc1N(CC(=O)OCc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 Homo sapiens CHEMBL896726 cell-based format
CHEMBL3092135 OBDepict H 3 C N N S S N O HO IC50 = 80.0 nM 367.45 Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccsc1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127155 OBDepict F N N S N O OH IC50 = 80.0 nM 339.35 O=C(O)c1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127169 OBDepict OH O N S N N IC50 = 80.0 nM 311.37 O=C(O)c1csc(-n2nc(C3=CCCC3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL431612 OBDepict O HN S O O S S Ki = 83.0 nM 521.73 O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1 Homo sapiens CHEMBL766141 single protein format
CHEMBL2442494 OBDepict CH 3 N N F F F S N O OH IC50 = 84.0 nM 353.33 Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1C(F)(F)F Homo sapiens CHEMBL2443717 single protein format
CHEMBL3753268 OBDepict H OH H N CH 3 O O S S N O HO Ki = 89.0 nM 436.56 CC#CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 Homo sapiens CHEMBL3757320 single protein format
CHEMBL3092141 OBDepict F N CH 3 N S N O HO IC50 = 100.0 nM 379.42 Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(F)cc1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127160 OBDepict H 3 C O N N S N O OH IC50 = 100.0 nM 365.41 CCOc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3753853 OBDepict CH 3 H 3 C H 3 C HO H H N O O S S N O HO Ki = 120.0 nM 428.58 CCCCC(C)(C)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 Homo sapiens CHEMBL3757320 single protein format
CHEMBL3127176 OBDepict OH O N S N IC50 = 120.0 nM 320.37 O=C(O)c1csc(-n2cc(-c3ccccc3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3092134 OBDepict HO O N S N N S CH 3 IC50 = 120.0 nM 367.45 Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccs1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL232158 OBDepict CH 3 O N O N N S O O CH 3 H 3 C IC50 = 126.0 nM 477.59 CCc1ccccc1N(Cc1nnc(Cc2ccc(OC)cc2)o1)S(=O)(=O)c1ccc(C)cc1 Homo sapiens CHEMBL896726 cell-based format
CHEMBL3092154 OBDepict I N N S N O OH IC50 = 130.0 nM 473.3 O=C(O)c1csc(-n2nc(-c3ccccc3)c(I)c2-c2ccccc2)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127158 OBDepict OH N N S N O OH IC50 = 140.0 nM 337.36 O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(O)cc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3127168 OBDepict OH O N S N N F F F IC50 = 140.0 nM 389.36 O=C(O)c1csc(-n2nc(-c3ccc(C(F)(F)F)cc3)c3ccccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL412070 OBDepict HO O H N O S O O CH 3 F Cl Ki = 142.0 nM 463.91 CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O Homo sapiens CHEMBL931425 single protein format
CHEMBL3752435 OBDepict H OH H N CH 3 CH 3 CH 3 O O S S N O OH Ki = 149.0 nM 468.64 CC(C)(C)CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 Homo sapiens CHEMBL3757320 single protein format
CHEMBL3092150 OBDepict HO O N S N N F F F IC50 = 150.0 nM 415.4 O=C(O)c1csc(-n2nc(-c3ccccc3)c(C(F)(F)F)c2-c2ccccc2)n1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL2442490 OBDepict OH N N S N F F F O OH IC50 = 180.0 nM 355.3 O=C(O)c1csc(-n2nc(-c3ccccc3O)cc2C(F)(F)F)n1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL3127151 OBDepict OH O N S N N N IC50 = 200.0 nM 322.35 O=C(O)c1csc(-n2nc(-c3ccccc3)c3cccnc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3753221 OBDepict CH 3 OH H H N O O S S N O HO Ki = 220.0 nM 440.59 CCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 Homo sapiens CHEMBL3757320 single protein format
CHEMBL91270 OBDepict H 3 C N H N H O S O O N O Ki = 220.0 nM 567.71 CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 Homo sapiens CHEMBL766140 single protein format
CHEMBL124199 OBDepict OH O O Ki = 230.0 nM 346.43 O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1 Homo sapiens CHEMBL766138 cell-based format
CHEMBL182367 OBDepict Cl O S N HO F F F F F F Ki = 260.0 nM 543.92 OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)(C(F)(F)F)C(F)(F)F Homo sapiens CHEMBL839470 single protein format
CHEMBL2442495 OBDepict CH 3 N N S N O HO Ki = 290.0 nM 361.43 Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 Homo sapiens CHEMBL2443707 single protein format
CHEMBL3964563 OBDepict HO O H O H H 3 C CH 3 H HO OH IC50 = 290.0 nM 400.52 CC1(C)C(=O)[C@H](C/C=CCCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O Homo sapiens CHEMBL3887096 cell-free format
CHEMBL3922155 OBDepict HO O H O H H 3 C CH 3 H HO HO S IC50 = 308.0 nM 456.6 CC1(C)C(=O)[C@H](C/C=CCCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O Homo sapiens CHEMBL3887096 cell-free format
CHEMBL2442488 OBDepict HO N N S N F F F O OH IC50 = 320.0 nM 355.3 O=C(O)c1csc(-n2nc(-c3ccc(O)cc3)cc2C(F)(F)F)n1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL1479261 OBDepict HO O N S N N F F F IC50 = 320.0 nM 339.3 O=C(O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL3092147 OBDepict CH 3 N N S N H 3 C O OH IC50 = 330.0 nM 375.45 Cc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O Homo sapiens CHEMBL3095969 single protein format
CHEMBL565799 OBDepict F N H 3 C HN O S O O S Cl Cl IC50 = 360.0 nM 573.5 Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12 Homo sapiens CHEMBL1042658 single protein format
CHEMBL173499 OBDepict OH S H H OH H H HO F O OH IC50 = 364.0 nM 428.57 O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccc(F)c1 Homo sapiens CHEMBL766135 cell-based format
CHEMBL815 OBDepict CH 3 OH H H H HO H H HO O OH IC50 = 380.0 nM 354.49 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL766135 cell-based format
CHEMBL2442486 OBDepict CH 3 O N N S N F F F O HO IC50 = 430.0 nM 369.32 COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)O)cs3)n2)cc1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL3752406 OBDepict F H 3 C CH 3 HO H H N O O S S N O OH Ki = 431.0 nM 446.57 CC(C)(CCCCF)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 Homo sapiens CHEMBL3757320 single protein format
CHEMBL37853 OBDepict OH O H H HO H H HO OH H O Cl IC50 = 496.0 nM 424.92 O=C(O)CCC/C=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 Homo sapiens CHEMBL766135 cell-based format
CHEMBL3092148 OBDepict OH O N S N N H 3 C IC50 = 500.0 nM 387.46 Cc1c(-c2ccccc2)nn(-c2nc(/C=C/C(=O)O)cs2)c1-c1ccccc1 Homo sapiens CHEMBL3095969 single protein format
CHEMBL3127154 OBDepict OH O N S N N F IC50 = 500.0 nM 339.35 O=C(O)c1csc(-n2nc(-c3ccccc3)c3c(F)cccc32)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL2442497 OBDepict CH 3 N N S N O HO IC50 = 500.0 nM 361.43 Cn1c(-c2ccccc2)nc(-c2nc(C(=O)O)cs2)c1-c1ccccc1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL2442490 OBDepict OH N N S N F F F O OH Ki = 530.0 nM 355.3 O=C(O)c1csc(-n2nc(-c3ccccc3O)cc2C(F)(F)F)n1 Homo sapiens CHEMBL2443707 single protein format
CHEMBL2442489 OBDepict HO N N S N F F F O OH IC50 = 580.0 nM 355.3 O=C(O)c1csc(-n2nc(-c3cccc(O)c3)cc2C(F)(F)F)n1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL3928703 OBDepict H 3 C O O H O H H 3 C H 3 C H HO HO IC50 = 638.0 nM 428.57 COC(=O)CCC/C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1 Homo sapiens CHEMBL3887096 cell-free format
CHEMBL425681 OBDepict HO O H H OH H H OH HO H O IC50 = 713.0 nM 394.51 O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)COc1ccccc1 Homo sapiens CHEMBL766135 cell-based format
CHEMBL88154 OBDepict O N H N H S O O N O CH 3 CH 3 CH 3 Ki = 770.0 nM 567.71 CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 Homo sapiens CHEMBL766140 single protein format
CHEMBL3895324 OBDepict CH 3 OH H H H H HO O H 3 C H 3 C O OH IC50 = 782.0 nM 380.53 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL3887096 cell-free format
CHEMBL3753622 OBDepict O O N H S S N OH H O HO Ki = 802.0 nM 488.63 O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCc3ccccc3)CCC2)n1 Homo sapiens CHEMBL3757320 single protein format
CHEMBL86933 OBDepict O HN S O O S S Ki = 820.0 nM 521.73 O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1 Homo sapiens CHEMBL766141 single protein format
CHEMBL173299 OBDepict OH S H H OH H H HO O OH IC50 = 912.0 nM 410.58 O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1ccccc1 Homo sapiens CHEMBL766135 cell-based format
CHEMBL2442485 OBDepict CH 3 O N N S N F F F O HO IC50 = 1000.0 nM 369.32 COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)O)cs2)cc1 Homo sapiens CHEMBL2443717 single protein format
CHEMBL3127178 OBDepict OH O N S N N IC50 = 1000.0 nM 339.42 O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2CCCCC3)n1 Homo sapiens CHEMBL3131142 single protein format
CHEMBL3092146 OBDepict OH O S N N CH 3 IC50 = 1000.0 nM 360.44 Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1 Homo sapiens CHEMBL3095969 single protein format