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P43119 | PI2R_HUMAN | Prostacyclin receptor (PTGIR)

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
CHEMBL3301604 OBDepict HO O O H H O N O Cl Ki = 3.0 nM 431.92 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4005280 cell-based format
CHEMBL64854 OBDepict CH 3 CH 3 H OH H H H OH H S O O OH Ki = 3.3 nM 400.58 CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O Homo sapiens CHEMBL764127 cell-based format
CHEMBL2373410 OBDepict _ O O O H O N O H + Na Ki = 6.1 nM 503.53 O=C([O-])COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.[Na+] Homo sapiens CHEMBL838565 single protein format
CHEMBL494 OBDepict H 3 C H 3 C OH H H H OH H H O HO Ki = 6.5 nM 360.49 CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O Homo sapiens CHEMBL768440 single protein format
CHEMBL3933704 OBDepict HO O O H H O N O F Ki = 7.0 nM 415.46 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 Homo sapiens CHEMBL4005280 cell-based format
CHEMBL430154 OBDepict OH O O N N IC50 = 8.0 nM 450.54 O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)=C2 Homo sapiens CHEMBL768435 assay format
CHEMBL196779 OBDepict OH O O HO O N O Ki = 8.9 nM 447.49 O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccccc1)C2 Homo sapiens CHEMBL828285 single protein format
CHEMBL11211 OBDepict O HN N O O OH IC50 = 10.0 nM 444.53 O=C(O)COc1cccc2c1CCCC2CCC(=O)NN(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL768140 assay format
CHEMBL3975122 OBDepict HO O O H H O N O F IC50 = 12.0 nM 415.46 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL190497 OBDepict _ O O O H N H N O + Na Ki = 12.0 nM 516.57 O=C([O-])COc1cccc2c1CCC[C@H]2N1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1.[Na+] Homo sapiens CHEMBL839468 single protein format
CHEMBL3793903 OBDepict OH O O O N N O Cl IC50 = 13.0 nM 466.92 O=C(O)COc1cccc2c1OCCN2CCN(C(=O)c1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3794955 cell-free format
CHEMBL11746 OBDepict HO O O N N IC50 = 18.0 nM 466.58 O=C(O)COc1cccc2c1CCCC2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 Homo sapiens CHEMBL768435 assay format
CHEMBL3933704 OBDepict HO O O H H O N O F IC50 = 18.0 nM 415.46 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3981509 OBDepict HO O O H H O N O F F IC50 = 19.0 nM 433.45 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL10836 OBDepict O N H N O O HO IC50 = 20.0 nM 430.5 O=C(O)COc1cccc2c1CCC(CC(=O)NN(c1ccccc1)c1ccccc1)C2 Homo sapiens CHEMBL768140 assay format
CHEMBL3893346 OBDepict CH 3 O N O O H H O O HO IC50 = 22.0 nM 427.5 COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3928729 OBDepict CH 3 O N O O H H O O OH IC50 = 23.0 nM 427.5 COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3926078 OBDepict HO O O H H O N O F Cl IC50 = 23.0 nM 449.91 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3952237 OBDepict H O H N O O O OH IC50 = 25.0 nM 397.47 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL1628262 OBDepict CH 3 OH H H H OH H O O OH IC50 = 25.0 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 CHEMBL3294250 single protein format
CHEMBL494 OBDepict H 3 C H 3 C OH H H H OH H H O HO IC50 = 27.0 nM 360.49 CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O Homo sapiens CHEMBL768434 assay format
CHEMBL3983767 OBDepict OH O O H H O N O F F IC50 = 30.0 nM 433.45 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL271896 OBDepict CH 3 OH H H H OH H O O O H 3 C IC50 = 37.0 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 CHEMBL3294250 single protein format
CHEMBL364841 OBDepict HO O N H 3 C O O H O N CH 3 Ki = 37.0 nM 470.53 Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL3301604 OBDepict HO O O H H O N O Cl IC50 = 38.0 nM 431.92 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3935924 OBDepict OH O O H H O N O CH 3 IC50 = 39.0 nM 411.5 Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 Homo sapiens CHEMBL4005267 assay format
CHEMBL11765 OBDepict OH O O N N IC50 = 40.0 nM 452.55 O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)C2 Homo sapiens CHEMBL768435 assay format
CHEMBL363350 OBDepict _ O O O H N O + Na Ki = 41.0 nM 473.5 O=C([O-])COc1cccc(C[C@@H]2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.[Na+] Homo sapiens CHEMBL838565 single protein format
CHEMBL3932106 OBDepict CH 3 O N O O F H H O O OH IC50 = 43.0 nM 445.49 COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 Homo sapiens CHEMBL4005267 assay format
CHEMBL1813117 OBDepict OH O CH 3 N O Cl O H O N CH 3 Ki = 49.0 nM 504.97 Cc1c(CC(=O)O)c2cc(Cl)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL232578 OBDepict CH 3 N H O O N NH O H 3 C H IC50 = 53.0 nM 453.54 CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@H](C)c3ccccc3)cc2)c1 Homo sapiens CHEMBL897127 cell membrane format
CHEMBL132589 OBDepict _ O O O H N O + Na Ki = 54.0 nM 487.53 O=C([O-])COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.[Na+] Homo sapiens CHEMBL768440 single protein format
CHEMBL3966307 OBDepict HO O O H H O N O Cl IC50 = 54.0 nM 431.92 O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3900038 OBDepict H O H N O O O HO IC50 = 54.0 nM 397.47 O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3398235 OBDepict OH O O N N O F F F IC50 = 62.0 nM 520.51 O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 Homo sapiens CHEMBL3399051 assay format
CHEMBL238804 OBDepict O NH S O O O H 3 C N N H 3 C CH 3 N IC50 = 62.0 nM 496.63 CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 Homo sapiens CHEMBL4005267 assay format
CHEMBL3398236 OBDepict HO O O H N N O F F F IC50 = 62.0 nM 520.51 O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 Homo sapiens CHEMBL3399051 assay format
CHEMBL3398229 OBDepict CH 3 O F N N O O O OH IC50 = 64.0 nM 514.55 COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1F Homo sapiens CHEMBL3399051 assay format
CHEMBL1813123 OBDepict OH O CH 3 N O H 3 C O H O N H 3 C Ki = 72.0 nM 484.55 Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL439357 OBDepict _ O O O N H N O + Na Ki = 76.0 nM 476.51 O=C([O-])COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.[Na+] Homo sapiens CHEMBL912673 single protein format
CHEMBL234391 OBDepict CH 3 N H O O N NH O H 3 C IC50 = 77.0 nM 453.54 CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCC(C)c3ccccc3)cc2)c1 Homo sapiens CHEMBL897127 cell membrane format
CHEMBL361939 OBDepict HO O O O S Ki = 80.0 nM 432.54 O=C(O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 Homo sapiens CHEMBL828836 assay format
CHEMBL94694 OBDepict CH 3 CH 3 HO H H H OH H O O _ O + Na Ki = 80.0 nM 420.48 CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3OC2C[C@H]1O.[Na+] Homo sapiens CHEMBL768441 single protein format
CHEMBL94751 OBDepict HO O O H N N O IC50 = 81.0 nM 480.56 O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 Homo sapiens CHEMBL3083992 assay format
CHEMBL3398228 OBDepict OH O O N N O F F IC50 = 87.0 nM 502.52 O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 Homo sapiens CHEMBL3399051 assay format
CHEMBL1813124 OBDepict OH O CH 3 N O Cl O H O N CH 3 Ki = 91.0 nM 504.97 Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(Cl)c1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL1813121 OBDepict OH O CH 3 N O Cl O H O N CH 3 Ki = 92.0 nM 504.97 Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl Homo sapiens CHEMBL1815364 cell-based format
CHEMBL1813281 OBDepict OH O CH 3 N O F CH 3 H 3 C O H O N H 3 C Ki = 93.0 nM 516.57 Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL3922000 OBDepict HO O O H H O N O F IC50 = 93.0 nM 415.46 O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL94751 OBDepict HO O O H N N O Ki = 94.0 nM 480.56 O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 Homo sapiens CHEMBL768441 single protein format
CHEMBL1813274 OBDepict OH O CH 3 N O CH 3 H 3 C O H O N H 3 C Ki = 94.0 nM 498.58 Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL1813273 OBDepict OH O CH 3 N O CH 3 H 3 C O H O N H 3 C Ki = 98.0 nM 498.58 Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c1C Homo sapiens CHEMBL1815364 cell-based format
CHEMBL195456 OBDepict H OH HO O O N O O HO Ki = 110.0 nM 463.49 O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccccc1)[C@@H]2O Homo sapiens CHEMBL828285 single protein format
CHEMBL1813122 OBDepict OH O CH 3 N O F O H O N CH 3 Ki = 110.0 nM 488.52 Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1F Homo sapiens CHEMBL1815364 cell-based format
CHEMBL1813120 OBDepict OH O CH 3 N O CH 3 O H O N H 3 C Ki = 130.0 nM 484.55 Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL1813275 OBDepict OH O CH 3 N O F CH 3 O H O N H 3 C Ki = 130.0 nM 502.54 Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2cc(F)ccc21 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL3793911 OBDepict OH O O N N O CH 3 IC50 = 130.0 nM 396.49 Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 Homo sapiens CHEMBL3794955 cell-free format
CHEMBL197319 OBDepict OH O O O N O Ki = 140.0 nM 431.49 O=C(O)COc1cccc2c1CCC(COC(=O)N(c1ccccc1)c1ccccc1)C2 Homo sapiens CHEMBL828285 single protein format
CHEMBL3890685 OBDepict HO O O H H O N O Cl F IC50 = 142.0 nM 449.91 O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL495 OBDepict H 3 C HO H H H HO H O O HO Ki = 150.0 nM 354.49 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O Homo sapiens CHEMBL764126 cell-based format
CHEMBL268477 OBDepict CH 3 N O O O HO IC50 = 150.0 nM 471.6 CCC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=NOC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL768434 assay format
CHEMBL416334 OBDepict H 3 C N O O O HO IC50 = 150.0 nM 457.57 CC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=NOC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL768434 assay format
CHEMBL1813278 OBDepict OH O CH 3 N O F H 3 C O H O N H 3 C Ki = 160.0 nM 502.54 Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL118567 OBDepict HO O N N IC50 = 160.0 nM 452.6 O=C(O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL768436 single protein format
CHEMBL442405 OBDepict HO O N N IC50 = 160.0 nM 362.47 O=C(O)CCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL768436 single protein format
CHEMBL3919269 OBDepict HO O O H H O N O Cl IC50 = 166.0 nM 431.92 O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4005267 assay format
CHEMBL189378 OBDepict HO O H N O Ki = 170.0 nM 449.55 O=C(O)Cc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 Homo sapiens CHEMBL828948 single protein format
CHEMBL3398224 OBDepict OH O O N N O F IC50 = 191.0 nM 484.53 O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 Homo sapiens CHEMBL3399051 assay format
CHEMBL1813115 OBDepict HO O H 3 C N O O H O N H 3 C Ki = 200.0 nM 470.53 Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL1813276 OBDepict OH O CH 3 N O F Cl O H O N CH 3 Ki = 200.0 nM 522.96 Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl Homo sapiens CHEMBL1815364 cell-based format
CHEMBL192662 OBDepict OH O O S CH 3 O OH Ki = 210.0 nM 476.59 CC(SCCc1c(CCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL828836 assay format
CHEMBL1813125 OBDepict OH O CH 3 N O F O H O N CH 3 Ki = 210.0 nM 488.52 Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(F)c1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL11291 OBDepict OH O O O N IC50 = 210.0 nM 429.52 O=C(O)COc1cccc2c1CCCC2CCON=C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL768140 assay format
CHEMBL3398227 OBDepict OH O O N N O F IC50 = 220.0 nM 484.53 O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3F)c(-c3ccccc3)c1=O)C2 Homo sapiens CHEMBL3399051 assay format
CHEMBL268051 OBDepict HO O O H N CH 3 O IC50 = 220.0 nM 443.54 C/C(C[C@H]1CCc2c(cccc2OCC(=O)O)C1)=NOC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL768434 assay format
CHEMBL1813280 OBDepict OH O CH 3 N O F CH 3 H 3 C O H O N H 3 C Ki = 230.0 nM 516.57 Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)c1C Homo sapiens CHEMBL1815364 cell-based format
CHEMBL3398232 OBDepict OH O O N N O F IC50 = 230.0 nM 484.53 O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccc(F)cc3)c1=O)C2 Homo sapiens CHEMBL3399051 assay format
CHEMBL548 OBDepict H 3 C HO H H H HO H O O HO IC50 = 260.0 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 CHEMBL3294250 single protein format
CHEMBL187758 OBDepict HO O O O S Ki = 270.0 nM 432.54 O=C(O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12 Homo sapiens CHEMBL828836 assay format
CHEMBL1813284 OBDepict HO O CH 3 N O CH 3 O H O Ki = 280.0 nM 455.51 Cc1cc(OC[C@@H]2Cc3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL3398237 OBDepict OH O O O N IC50 = 288.0 nM 427.5 O=C(O)COc1cccc2c1CCC=C2CCON=C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3399051 assay format
CHEMBL239226 OBDepict OH O O N N CH 3 CH 3 N IC50 = 288.0 nM 419.53 CC(C)N(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 Homo sapiens CHEMBL4005267 assay format
CHEMBL1813118 OBDepict OH O CH 3 N O F O H O N CH 3 Ki = 320.0 nM 488.52 Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL1813277 OBDepict OH O CH 3 N O F F O H O N CH 3 Ki = 320.0 nM 506.51 Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1F Homo sapiens CHEMBL1815364 cell-based format
CHEMBL3794451 OBDepict OH O O N O Cl IC50 = 320.0 nM 413.9 O=C(O)COC1CCC(=CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3794955 cell-free format
CHEMBL3398222 OBDepict OH O O N N O IC50 = 325.0 nM 466.54 O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3)c1=O)C2 Homo sapiens CHEMBL3399051 assay format
CHEMBL3398233 OBDepict CH 3 O O N N O O OH IC50 = 330.0 nM 496.56 COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 Homo sapiens CHEMBL3399051 assay format
CHEMBL391933 OBDepict CH 3 N H O O N N H O H H IC50 = 331.0 nM 451.53 CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c1 Homo sapiens CHEMBL897127 cell membrane format
CHEMBL117038 OBDepict OH O N N IC50 = 350.0 nM 376.5 O=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1 Homo sapiens CHEMBL768436 single protein format
CHEMBL11088 OBDepict OH O O N H 3 C O IC50 = 380.0 nM 443.54 C/C(CC1CCc2c(cccc2OCC(=O)O)C1)=NOC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL768434 assay format
CHEMBL3917503 OBDepict O NH O S O O OH H H O N O Cl Ki = 400.0 nM 539.05 O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O Homo sapiens CHEMBL4005280 cell-based format
CHEMBL3798917 OBDepict OH O O N N O O H 3 C O OH 2 ClH Ki = 400.0 nM 494.97 Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccc3c(c2)OCO3)cc1.Cl.O Homo sapiens CHEMBL3802933 single protein format
CHEMBL426387 OBDepict OH O H N Br F Cl Ki = 400.0 nM 436.71 O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 Homo sapiens CHEMBL907938 cell-based format
CHEMBL188758 OBDepict OH O O O S Ki = 400.0 nM 446.57 O=C(O)COc1cccc2c(CCCSCC(c3ccccc3)c3ccccc3)coc12 Homo sapiens CHEMBL828836 assay format
CHEMBL188384 OBDepict HO O O O S Ki = 410.0 nM 418.51 O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12 Homo sapiens CHEMBL828836 assay format
CHEMBL1813272 OBDepict H 3 C O O N O H O H 3 C N H 3 C O HO Ki = 430.0 nM 500.55 COc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 Homo sapiens CHEMBL1815364 cell-based format
CHEMBL3793117 OBDepict CH 3 N O N O O OH IC50 = 430.0 nM 410.51 CCc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 Homo sapiens CHEMBL3794955 cell-free format
CHEMBL3793265 OBDepict OH O O N N O Cl IC50 = 440.0 nM 416.91 O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3794955 cell-free format
CHEMBL266622 OBDepict OH O O O IC50 = 460.0 nM 430.54 O=C(O)COc1cccc2c1CCCC2CCCOC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL768140 assay format
CHEMBL400404 OBDepict CH 3 HN O O N NH O H O HO IC50 = 476.0 nM 483.52 CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 Homo sapiens CHEMBL897127 cell membrane format