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P43116 | PE2R2_HUMAN | Prostaglandin E2 receptor EP2 subtype (PTGER2)

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
CHEMBL64246 OBDepict H 3 C OH H H H OH H H Cl O OH Ki = 0.74 nM 398.97 CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=CCCCC(=O)O)CCC1 Homo sapiens CHEMBL763189 cell-based format
CHEMBL3670659 OBDepict OH HN O N H O N H O F Ki = 1.1 nM 419.41 O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3670663 OBDepict OH HN O O N H O N H F Ki = 1.5 nM 419.41 O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccc(F)cc2)o1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3286796 OBDepict CH 2 OH H H H OH H H Cl O OH Ki = 1.7 nM 410.98 C=CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=CCCCC(=O)O)CCC1 Homo sapiens CHEMBL3294240 single protein format
CHEMBL3670653 OBDepict F N O HO H S Ki = 1.9 nM 287.31 O=C(O)c1[nH]c(-c2cccs2)cc1-c1ccc(F)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3586362 OBDepict F N Cl N O H CH 3 N O H IC50 = 2.0 nM 437.9 C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3670654 OBDepict HO N O HO H O Ki = 2.8 nM 269.26 O=C(O)c1[nH]c(-c2ccoc2)cc1-c1ccc(O)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3670662 OBDepict CH 3 O N N H O H O N H O OH Ki = 3.1 nM 417.42 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Nc2ccc(C(=O)NO)o2)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3670656 OBDepict H 3 C O O N N H O N H S F Ki = 3.8 nM 435.48 COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3670658 OBDepict HO NH O N N H O N H S F Ki = 3.8 nM 436.47 O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3670657 OBDepict OH HN O N H O N H O OH Ki = 4.4 nM 417.42 O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL548 OBDepict H 3 C HO H H H HO H O O HO Ki = 4.9 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 CHEMBL888229 cell-based format
CHEMBL413509 OBDepict CH 3 OH H H N H HO O O OH Ki = 6.4 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 CHEMBL763370 single protein format
CHEMBL3670655 OBDepict CH 3 O O N H O N H O OH Ki = 7.0 nM 416.43 COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3947001 OBDepict H 3 C OH N O H S O OH Ki = 8.0 nM 443.61 CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL181035 OBDepict OH O O Ki = 8.0 nM 356.42 O=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1 Homo sapiens CHEMBL839479 single protein format
CHEMBL3586361 OBDepict Cl O N S H H 3 C N O H IC50 = 8.0 nM 436.96 C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586360 OBDepict F N Cl N O N O H IC50 = 8.0 nM 423.88 O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3670664 OBDepict HO N H O N H O N H O CH 3 Ki = 9.2 nM 441.49 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Nc2cccc(CC(=O)NO)c2)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3670661 OBDepict OH HN O N H O N H O HO Ki = 9.4 nM 417.42 O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccc(O)cc3)cc2-c2ccoc2)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL2107783 OBDepict OH O O N S O O N N N Ki = 10.0 nM 478.53 O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1 Homo sapiens CHEMBL3294240 single protein format
CHEMBL3707245 OBDepict OH O HN N N S O O N N N IC50 = 10.0 nM 478.53 O=C(O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1 Homo sapiens CHEMBL4326150 cell-based format
CHEMBL3670660 OBDepict HO NH O N H O N H S HO Ki = 13.0 nM 433.49 O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL3705179 cell membrane format
CHEMBL3971632 OBDepict H 3 C OH N O H S O OH Ki = 15.0 nM 429.58 CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL4443289 OBDepict HO O O N S O O N CH 3 CH 3 CH 3 Ki = 15.0 nM 478.57 CC(C)(C)c1ccc(CN(Cc2cccc3oc(C(=O)O)cc23)S(=O)(=O)c2cccnc2)cc1 Homo sapiens CHEMBL4326150 cell-based format
CHEMBL2105672 OBDepict _ O O O N S O O N CH 3 H 3 C CH 3 + Na Ki = 16.0 nM 490.56 CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)[O-])c2)S(=O)(=O)c2cccnc2)cc1.[Na+] Homo sapiens CHEMBL4326150 cell-based format
CHEMBL599051 OBDepict Cl S N H O CH 3 H O OH Ki = 16.0 nM 399.9 C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1072473 cell-based format
CHEMBL3586359 OBDepict Cl O N S N O H IC50 = 20.0 nM 422.94 O=c1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)cc[nH]1 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586312 OBDepict H 3 C O O N S N N IC50 = 20.0 nM 403.51 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL272277 OBDepict CH 3 OH H H N O O OH Ki = 21.0 nM 399.53 CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 Homo sapiens CHEMBL931917 single protein format
CHEMBL3936540 OBDepict CH 3 OH H H Cl H H Cl O HO Ki = 25.0 nM 441.44 CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=CCCCC(=O)O)cc1 Homo sapiens CHEMBL3883093 cell-based format
CHEMBL398948 OBDepict CH 3 CH 3 H N O O HO Ki = 29.0 nM 355.48 CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL888229 cell-based format
CHEMBL3586347 OBDepict H 3 C O O N N Cl N IC50 = 30.0 nM 421.93 COc1cc(N2CCc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3920756 OBDepict H 3 C O N O H S O OH Ki = 31.0 nM 427.57 CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL376347 OBDepict H 3 C OH H H N O O OH Ki = 35.0 nM 361.48 CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL918075 single protein format
CHEMBL548 OBDepict H 3 C HO H H H HO H O O HO IC50 = 37.7 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 CHEMBL1120701 single protein format
CHEMBL601299 OBDepict Cl Cl S N H O Cl O OH Ki = 43.0 nM 454.76 O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL1072473 cell-based format
CHEMBL563646 OBDepict HO O O N S O O N CH 3 H 3 C CH 3 Ki = 50.0 nM 468.58 CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1 Homo sapiens CHEMBL3294240 single protein format
CHEMBL257217 OBDepict H 3 C OH H H N O O OH Ki = 54.0 nM 373.49 CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL931917 single protein format
CHEMBL3903611 OBDepict H 3 C OH H H O S O HO Ki = 54.0 nM 428.59 CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3883093 cell-based format
CHEMBL251505 OBDepict CH 3 H 3 C H N O O OH Ki = 60.0 nM 355.48 CCCC/C(C)=CC=C[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL888229 cell-based format
CHEMBL248678 OBDepict H 3 C H N O O OH Ki = 60.0 nM 381.52 C/C(=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)CC1CCCC1 Homo sapiens CHEMBL888229 cell-based format
CHEMBL3586340 OBDepict H 3 C O O N N Cl N IC50 = 60.0 nM 419.91 COc1cc(-n2cc(Cl)c3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL2112332 OBDepict H N N N N S Ki = 63.0 nM 400.55 c1ccc(CCSCc2ccc(-c3ccccc3CCc3nnn[nH]3)cc2)cc1 Homo sapiens CHEMBL763190 single protein format
CHEMBL3586309 OBDepict H 3 C O O N S N IC50 = 70.0 nM 402.52 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL1628262 OBDepict CH 3 OH H H H OH H O O OH Ki = 73.0 nM 394.55 CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 Homo sapiens CHEMBL3294240 single protein format
CHEMBL222782 OBDepict O N H HO H O HO Ki = 75.0 nM 371.48 O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 Homo sapiens CHEMBL918075 single protein format
CHEMBL3586353 OBDepict Cl O N S N IC50 = 80.0 nM 406.94 Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586342 OBDepict H 3 C O O N N Cl N IC50 = 80.0 nM 419.91 COc1cc(-n2ccc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL251709 OBDepict CH 3 H N O O HO Ki = 88.0 nM 341.45 CCCC/C=CC=C[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL888229 cell-based format
CHEMBL3586346 OBDepict H 3 C O O N N F N IC50 = 90.0 nM 403.46 COc1cc(-n2ccc3cc(F)ccc32)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586314 OBDepict CH 3 O O N S N O H 3 C IC50 = 100.0 nM 432.55 COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cn1 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586324 OBDepict H 3 C O O N S N IC50 = 100.0 nM 426.54 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(C#N)c1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586322 OBDepict CH 3 O O N S S O O CH 3 IC50 = 100.0 nM 479.62 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586345 OBDepict H 3 C O O N N N N IC50 = 100.0 nM 410.48 COc1cc(-n2ccc3cc(C#N)ccc32)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL271896 OBDepict CH 3 OH H H H OH H O O O H 3 C Ki = 110.0 nM 408.58 CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 Homo sapiens CHEMBL925647 single protein format
CHEMBL3959653 OBDepict CH 3 O H H OH H O O HO Ki = 111.0 nM 400.52 CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=CCCCC(=O)O)cc1 Homo sapiens CHEMBL3883093 cell-based format
CHEMBL3892847 OBDepict H 3 C OH N O H O S O OH Ki = 115.0 nM 431.55 CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL251294 OBDepict CH 3 HO H H N O O OH Ki = 125.5 nM 345.44 CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL888229 cell-based format
CHEMBL222715 OBDepict H 3 C OH H H N O O OH Ki = 130.0 nM 359.47 CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL918075 single protein format
CHEMBL251504 OBDepict CH 3 H 3 C H N O O OH Ki = 134.0 nM 355.48 CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL888229 cell-based format
CHEMBL426559 OBDepict HO O H N S F O O CH 3 Cl Ki = 136.0 nM 435.9 CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL856877 cell-based format
CHEMBL86799 OBDepict OH O S Ki = 140.0 nM 376.52 O=C(O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1 Homo sapiens CHEMBL763190 single protein format
CHEMBL257658 OBDepict H 3 C CH 3 CH 3 HO H H N O O HO Ki = 141.0 nM 387.52 CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL931917 single protein format
CHEMBL124199 OBDepict OH O O Ki = 150.0 nM 346.43 O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1 Homo sapiens CHEMBL763186 cell-based format
CHEMBL3921784 OBDepict H 3 C O N O H O S O OH Ki = 163.0 nM 429.54 CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL251710 OBDepict H 3 C CH 3 H N O O HO Ki = 173.0 nM 327.42 CC/C(C)=CC=C[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL888229 cell-based format
CHEMBL3891401 OBDepict O N H O CH 3 CH 3 CH 3 O O HO Ki = 189.0 nM 371.43 CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 Homo sapiens CHEMBL3881178 cell-based format
CHEMBL3977724 OBDepict H 3 C OH N O H O S O OH Ki = 190.0 nM 445.58 CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL3586352 OBDepict CH 3 O N S N IC50 = 200.0 nM 386.52 Cc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586315 OBDepict H 3 C O O N S N H O IC50 = 200.0 nM 418.52 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(=O)[nH]c1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586313 OBDepict H 3 C O O N S O N CH 3 IC50 = 200.0 nM 432.55 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1OC)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586311 OBDepict H 3 C O O N S N IC50 = 200.0 nM 402.52 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccncc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL599262 OBDepict Cl CH 3 S N H O H 3 C CH 3 H O HO Ki = 202.0 nM 427.95 Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 Homo sapiens CHEMBL1072473 cell-based format
CHEMBL223744 OBDepict O N H HO H O HO Ki = 220.0 nM 373.49 O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 Homo sapiens CHEMBL918075 single protein format
CHEMBL383484 OBDepict OH O H N S O CH 3 O O CH 3 Cl Ki = 230.0 nM 459.95 CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL854182 single protein format
CHEMBL4092846 OBDepict F O HN O F O OH IC50 = 236.0 nM 383.35 O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 Homo sapiens CHEMBL3997116 single protein format
CHEMBL1722929 OBDepict CH 3 HO H H O O HO Ki = 240.0 nM 388.55 CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 Homo sapiens CHEMBL3294240 single protein format
CHEMBL3667607 OBDepict H O HN O H 3 C CH 3 H 3 C H O O OH Ki = 261.0 nM 385.46 CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3707731 cell-based format
CHEMBL3586328 OBDepict CH 3 O O N N IC50 = 300.0 nM 396.49 COc1cc(-c2cccc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586337 OBDepict H 3 C O O N N N IC50 = 300.0 nM 385.47 COc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL385126 OBDepict OH O H N F O CH 3 Cl Ki = 310.0 nM 399.85 CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL856877 cell-based format
CHEMBL3955128 OBDepict CH 3 OH H H N F F O O OH Ki = 329.0 nM 375.46 CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL4386414 cell-based format
CHEMBL424975 OBDepict HO O O CH 3 Ki = 380.0 nM 386.49 Cc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 Homo sapiens CHEMBL839479 single protein format
CHEMBL591431 OBDepict Cl Cl S N H O Cl CH 3 H O OH Ki = 384.0 nM 468.79 C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1072473 cell-based format
CHEMBL3975238 OBDepict H 3 C OH N O H O S O OH Ki = 387.0 nM 417.53 CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL207203 OBDepict OH O H N S HO CH 3 O O CH 3 Cl Ki = 390.0 nM 461.97 CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL854182 single protein format
CHEMBL3586341 OBDepict H 3 C O O N N Cl N IC50 = 400.0 nM 419.91 COc1cc(-n2ccc3c(Cl)cccc32)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586335 OBDepict H 3 C O O N N S N IC50 = 400.0 nM 403.51 COc1cc(-c2nsc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL426387 OBDepict OH O H N Br F Cl Ki = 410.0 nM 436.71 O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 Homo sapiens CHEMBL856877 cell-based format
CHEMBL4448995 OBDepict OH O O N S O O N CH 3 CH 3 CH 3 Ki = 433.0 nM 478.57 CC(C)(C)c1ccc(CN(Cc2ccc3cc(C(=O)O)oc3c2)S(=O)(=O)c2cccnc2)cc1 Homo sapiens CHEMBL4326150 cell-based format
CHEMBL604546 OBDepict Cl H 3 C S HN O CH 3 CH 3 H O OH Ki = 467.0 nM 427.95 Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 Homo sapiens CHEMBL1072473 cell-based format
CHEMBL3908484 OBDepict O N H O CH 3 CH 3 CH 3 S O HO Ki = 501.0 nM 387.5 CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 Homo sapiens CHEMBL3881177 cell-based format
CHEMBL3959926 OBDepict CH 3 OH H H Cl H H Cl O HO Ki = 504.0 nM 441.44 CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=CCCCC(=O)O)cc1 Homo sapiens CHEMBL3883093 cell-based format
CHEMBL400447 OBDepict H 3 C N N O O HO Ki = 560.0 nM 484.64 CC(CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1)Cc1cccc(CCc2ccccc2)c1 Homo sapiens CHEMBL925647 single protein format
CHEMBL3933704 OBDepict HO O O H H O N O F Ki = 570.0 nM 415.46 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 Homo sapiens CHEMBL4005283 cell-based format
CHEMBL86886 OBDepict O N H S O O S S Ki = 590.0 nM 507.7 O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 Homo sapiens CHEMBL763190 single protein format
CHEMBL3586321 OBDepict H 3 C O O N S N IC50 = 600.0 nM 426.54 COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C#N)cc1)C2 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3586320 OBDepict CH 3 O O N O O H 3 C S IC50 = 600.0 nM 459.57 COC(=O)c1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cc1 Homo sapiens CHEMBL3588430 cell-based format
CHEMBL3950412 OBDepict CH 3 OH S H H H Cl O OH Ki = 600.0 nM 415.04 CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)s1 Homo sapiens CHEMBL3883093 cell-based format