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P08183 | MDR1_HUMAN | ATP-dependent translocase ABCB1 (ABCB1)

3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // ABC_tran_1 ]

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[ 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
CHEMBL4792609 OBDepict CH 3 O O O O CH 3 N H S O Cl IC50 = 0.88 nM 517.99 COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccccc4Cl)oc3c2)cc1 Homo sapiens CHEMBL4771208 cell-based format
CHEMBL4783930 OBDepict CH 3 O O O O CH 3 N H S O CH 3 IC50 = 0.88 nM 497.57 COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccccc4C)oc3c2)cc1 Homo sapiens CHEMBL4771208 cell-based format
CHEMBL4085670 OBDepict OH N N N H 3 C O CH 3 IC50 = 1.25 nM 407.56 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCN(CCO)CC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL4161103 OBDepict OH CH 3 N H N CH 3 H CH 3 CH 3 H O O H 3 C CH 3 IC50 = 2.4 nM 596.86 CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 Homo sapiens CHEMBL4327430 cell-based format
CHEMBL4064097 OBDepict OH N HO N CH 3 O H 3 C IC50 = 3.11 nM 382.5 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN(CCO)CCO Homo sapiens CHEMBL4014480 cell-based format
CHEMBL3582149 OBDepict CH 3 O O O H 3 C H H O O O O CH 3 O H 3 C H 3 C O O CH 3 O CH 3 CH 3 IC50 = 3.7 nM 596.63 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4094336 OBDepict CH 3 H 3 C N O N O IC50 = 4.0 nM 364.49 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCOCC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL4077817 OBDepict CH 3 N H 3 C N CH 3 O H 3 C IC50 = 4.05 nM 350.51 CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(C)cc(C)c21 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL4783872 OBDepict CH 3 O O O O H 3 C N S O H 3 C O H 3 C IC50 = 4.5 nM 463.51 COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(C)=O)C(C)=O)oc3c2)cc1 Homo sapiens CHEMBL4771208 cell-based format
CHEMBL4066830 OBDepict CH 3 H 3 C N O N IC50 = 5.0 nM 362.52 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCCCC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL4082527 OBDepict F HN N N CH 3 N N S N N H IC50 = 5.03 nM 405.46 Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1 Homo sapiens CHEMBL4678630 cell-based format
CHEMBL4790157 OBDepict CH 3 O O O O CH 3 N H S O F IC50 = 6.3 nM 501.54 COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccc(F)c4)oc3c2)cc1 Homo sapiens CHEMBL4771208 cell-based format
CHEMBL4086583 OBDepict OH N N N H 3 C O CH 3 IC50 = 8.0 nM 393.53 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCN1CCN(CCO)CC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL3582148 OBDepict CH 3 O O O H 3 C H H O O O O CH 3 O H 3 C H 3 C O O CH 3 CH 3 IC50 = 8.7 nM 566.6 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)/C=C/c1ccc(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4102080 OBDepict CH 3 N N N CH 3 O CH 3 IC50 = 10.0 nM 377.53 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCN(C)CC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL3416268 OBDepict O H CH 3 H H O H H H O CH 3 O O H 3 C H O IC50 = 10.0 nM 516.72 CC(=O)[C@@]1(O[C@@H]2CCCCO2)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O[C@H]3CCCCO3)C[C@@]21C Homo sapiens CHEMBL4417728 cell-based format
CHEMBL3416082 OBDepict O H H 3 C H H O H O H H O H O H 3 C H O H 3 C IC50 = 10.0 nM 536.71 CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3OC(=O)c1ccccc1 Homo sapiens CHEMBL4417727 cell-based format
CHEMBL3339299 OBDepict CH 3 O O CH 3 O CH 3 O O N CH 3 O O IC50 = 11.0 nM 599.72 COc1cc(/C=C/C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Homo sapiens CHEMBL3378328 cell-based format
CHEMBL4096764 OBDepict HO N OH N CH 3 O CH 3 IC50 = 11.22 nM 368.48 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCN(CCO)CCO Homo sapiens CHEMBL4014480 cell-based format
CHEMBL67 OBDepict CH 3 O O CH 3 O H 3 C HO O H 3 C IC50 = 11.5 nM 316.35 COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1O Homo sapiens CHEMBL2396369 cell-based format
CHEMBL3582166 OBDepict CH 3 O O O H 3 C H H O O O O CH 3 O H 3 C H 3 C O O CH 3 O CH 3 CH 3 IC50 = 11.6 nM 596.63 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582165 OBDepict CH 3 O O O H 3 C H H O O O O CH 3 O H 3 C H 3 C O O CH 3 CH 3 IC50 = 11.8 nM 566.6 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)/C=C/c1ccc(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582162 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C O O H 3 C H 3 C IC50 = 12.0 nM 540.57 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4078738 OBDepict H 3 C N CH 3 N CH 3 O CH 3 IC50 = 14.2 nM 336.48 CCN(CC)CCCn1c2ccccc2c(=O)c2cc(C)cc(C)c21 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL3582143 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C N H F O H 3 C IC50 = 14.8 nM 555.56 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(NC(C)=O)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL476704 OBDepict CH 3 O O H H 3 C H O O H CH 3 H O O H CH 3 H 3 C O CH 3 IC50 = 15.0 nM 458.55 CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(C)=O Homo sapiens CHEMBL4811983 cell-based format
CHEMBL2425924 OBDepict CH 3 O N CH 3 N CH 3 N ClH IC50 = 16.4 nM 305.81 COc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.Cl Homo sapiens CHEMBL2428600 cell-based format
CHEMBL4094253 OBDepict CH 3 CH 3 N O N IC50 = 17.0 nM 348.49 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCN1CCCCC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL4073625 OBDepict CH 3 N N N CH 3 O CH 3 IC50 = 17.2 nM 363.51 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCN1CCN(C)CC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL3582152 OBDepict CH 3 O O O H 3 C H H O O O O CH 3 O H 3 C H 3 C O O H 3 C O H 3 C CH 3 IC50 = 18.0 nM 598.65 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)CCc1cc(OC)c(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582164 OBDepict CH 3 O O O H H O O H 3 C O O O H 3 C O CH 3 H 3 C H 3 C IC50 = 18.5 nM 536.58 COc1ccc(/C=C/C(=O)O[C@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582151 OBDepict CH 3 O O O H 3 C H H O O O O CH 3 O H 3 C H 3 C O O H 3 C CH 3 IC50 = 19.0 nM 568.62 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)CCc1ccc(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582137 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C O O H 3 C H 3 C IC50 = 19.5 nM 540.57 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4099509 OBDepict CH 3 CH 3 N O N O IC50 = 19.9 nM 350.46 Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCN1CCOCC1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL1631996 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C O O H 3 C O H 3 C H 3 C IC50 = 21.0 nM 570.59 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582147 OBDepict CH 3 O O O H H O O H 3 C O O O H 3 C O CH 3 H 3 C H 3 C IC50 = 21.9 nM 536.58 COc1ccc(/C=C/C(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3339301 OBDepict CH 3 O O CH 3 O CH 3 O O N CH 3 O O IC50 = 22.0 nM 599.72 COc1cc(/C=C/C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Homo sapiens CHEMBL3378328 cell-based format
CHEMBL4105194 OBDepict CH 3 O O H H O H H 3 C CH 3 O O CH 3 H O H O H O H 3 C CH 3 H O O CH 3 O CH 3 IC50 = 22.0 nM 574.62 CC(=O)O[C@@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(C)=O Homo sapiens CHEMBL4811983 cell-based format
CHEMBL3582146 OBDepict CH 3 O O O CH 3 H H O O O O CH 3 O H 3 C CH 3 O O CH 3 O CH 3 CH 3 IC50 = 25.0 nM 584.62 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582178 OBDepict H 3 C O O O CH 3 O H H O O O O CH 3 O CH 3 CH 3 O O CH 3 CH 3 IC50 = 26.2 nM 580.59 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)/C=C/c1ccc(OC)c(OC)c1)C2=O Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4091769 OBDepict H 3 C CH 3 N O H IC50 = 27.12 nM 223.28 Cc1cc(C)c2[nH]c3ccccc3c(=O)c2c1 Homo sapiens CHEMBL4014480 cell-based format
CHEMBL2391704 OBDepict CH 3 O N H 3 C N NH 2 N N H IC50 = 29.1 nM 333.4 CCOc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 Homo sapiens CHEMBL2396369 cell-based format
CHEMBL3339300 OBDepict CH 3 O O O H 3 C CH 3 O O N CH 3 O O IC50 = 30.0 nM 599.72 COc1cc(/C=C/C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Homo sapiens CHEMBL3378328 cell-based format
CHEMBL3582145 OBDepict CH 3 O O O CH 3 H H O O O O CH 3 O H 3 C CH 3 O O CH 3 CH 3 IC50 = 32.2 nM 554.59 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)Cc1ccc(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL511093 OBDepict H 3 C O O H H O H H 3 C CH 3 H 3 C O H O O H O H CH 3 O H 3 C O H 3 C IC50 = 34.0 nM 516.59 CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(C)=O Homo sapiens CHEMBL4811983 cell-based format
CHEMBL3582144 OBDepict H 3 C O O O H H O O H 3 C O O O H 3 C O CH 3 H 3 C H 3 C IC50 = 34.2 nM 524.57 COc1ccc(CC(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL2391709 OBDepict CH 3 O N H 3 C N NH 2 N N H IC50 = 34.4 nM 319.37 COc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 Homo sapiens CHEMBL2396369 cell-based format
CHEMBL3582142 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C N F CH 3 H 3 C IC50 = 36.0 nM 541.57 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(N(C)C)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582174 OBDepict CH 3 O O O H 3 C O H H O O O O CH 3 O H 3 C CH 3 O O H 3 C CH 3 IC50 = 36.6 nM 554.55 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(OC)c(OC)c1)C2=O Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3233494 OBDepict CH 3 O O CH 3 O N CH 3 H 3 C IC50 = 40.0 nM 349.43 COc1cc2c(cc1OC)C(=O)/C(=C/C=C/c1ccc(N(C)C)cc1)C2 Homo sapiens CHEMBL3239460 assay format
CHEMBL3582150 OBDepict CH 3 O O O H H O O H 3 C O O O H 3 C O CH 3 H 3 C H 3 C IC50 = 40.1 nM 538.59 COc1ccc(CCC(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582177 OBDepict H 3 C O O O H O H O O CH 3 O O O CH 3 O H 3 C CH 3 CH 3 IC50 = 40.7 nM 550.56 COc1ccc(/C=C/C(=O)O[C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582175 OBDepict H 3 C O O O CH 3 O H H O O O O H 3 C O CH 3 CH 3 O O CH 3 O CH 3 CH 3 IC50 = 44.4 nM 584.57 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)C2=O Homo sapiens CHEMBL3584050 cell-based format
CHEMBL1824506 OBDepict CH 3 O N CH 3 N CH 3 N H 3 C ClH IC50 = 44.4 nM 319.84 COc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl Homo sapiens CHEMBL2428600 cell-based format
CHEMBL3582136 OBDepict H 3 C O O O H H O O CH 3 O O O H 3 C O H 3 C CH 3 H 3 C IC50 = 45.2 nM 510.54 COc1cccc(C(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4072052 OBDepict CH 3 N HN N N N S N N H IC50 = 46.0 nM 387.47 Cc1cc(Nc2ccccc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1 Homo sapiens CHEMBL4678651 tissue-based format
CHEMBL3582173 OBDepict H 3 C O O O H O H O O CH 3 O O O CH 3 O H 3 C CH 3 CH 3 IC50 = 47.9 nM 524.52 COc1ccc(C(=O)O[C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3582163 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C O O H 3 C O H 3 C H 3 C IC50 = 49.0 nM 570.59 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL2059236 OBDepict HO N O N O OH O O IC50 = 50.0 nM 594.71 O=C(c1ccccc1)c1ccccc1OCC(O)CN1CCN(CC(O)COc2ccccc2C(=O)c2ccccc2)CC1 Homo sapiens CHEMBL2061056 assay format
CHEMBL1087138 OBDepict N CH 3 H 3 C O N H O CH 3 CH 3 IC50 = 50.0 nM 466.63 COc1ccc(C(C#N)(CCCNCc2c3ccccc3cc3ccccc23)C(C)C)cc1OC Homo sapiens CHEMBL2318920 cell-based format
CHEMBL3582141 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C F IC50 = 53.3 nM 498.5 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)cc1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4097492 OBDepict CH 3 O O H H O H H 3 C CH 3 O O CH 3 H O H O H O H 3 C CH 3 H O O CH 3 O H 3 C IC50 = 56.0 nM 574.62 CC(=O)O[C@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1 Homo sapiens CHEMBL4811983 cell-based format
CHEMBL3823024 OBDepict H 3 C O O HO O O CH 3 IC50 = 59.6 nM 410.43 Cc1cccc(-c2coc3c(c(O)cc4occ(-c5cccc(C)c5)c(=O)c43)c2=O)c1 Homo sapiens CHEMBL3825948 cell-based format
CHEMBL3233505 OBDepict CH 3 O O CH 3 O CH 3 O O O O CH 3 O CH 3 CH 3 IC50 = 60.0 nM 570.64 COc1cc(/C=C/C=C/C(=O)c2cccc(C(=O)/C=C/C=C/c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC Homo sapiens CHEMBL3239460 assay format
CHEMBL3582161 OBDepict H 3 C O O O H H O O CH 3 O O O CH 3 O H 3 C CH 3 CH 3 IC50 = 67.1 nM 510.54 COc1ccc(C(=O)O[C@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4592250 OBDepict CH 3 O O CH 3 N O O H 3 C O H 3 C IC50 = 70.0 nM 451.56 COc1cc2c(cc1OC)CN(CCCCCOc1ccc3c(C)c(C)c(=O)oc3c1)CC2 Homo sapiens CHEMBL4327486 cell-based format
CHEMBL4854885 OBDepict H 3 C O O H H O H CH 3 H 3 C O O H 3 C H O H O CH 3 H 3 C H O O IC50 = 71.0 nM 578.66 CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]1OC(C)=O)[C@H]3OC(=O)c1ccccc1 Homo sapiens CHEMBL4811985 cell-based format
CHEMBL2391703 OBDepict CH 3 N N H 2 N N N H O CH 3 IC50 = 72.0 nM 333.4 CCN(c1ccc(OC)cc1)c1nc(N)nc2[nH]c3ccccc3c12 Homo sapiens CHEMBL2396369 cell-based format
CHEMBL493022 OBDepict CH 3 O O H H 3 C H O O H CH 3 H O O H CH 3 H 3 C O IC50 = 77.0 nM 546.66 CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)/C=C/c1ccccc1 Homo sapiens CHEMBL4811985 cell-based format
CHEMBL485918 OBDepict CH 3 O O N IC50 = 80.0 nM 415.58 COc1cccc(CCc2ccccc2OCCCCN2CCc3ccccc3C2)c1 Homo sapiens CHEMBL938577 cell-based format
CHEMBL2058782 OBDepict HO N O N O CH 3 CH 3 IC50 = 80.0 nM 444.58 Cc1cccc(N2CCN(CC(O)COc3ccccc3C(=O)c3ccccc3)CC2)c1C Homo sapiens CHEMBL2061056 assay format
CHEMBL272423 OBDepict CH 3 O NH O H 3 C O H 3 C IC50 = 85.0 nM 377.48 COc1cccc(CCc2ccccc2NCc2cccc(OC)c2OC)c1 Homo sapiens CHEMBL938573 single protein format
CHEMBL444075 OBDepict CH 3 O O CH 3 N N H O HN O N IC50 = 87.0 nM 586.69 COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 Homo sapiens CHEMBL939118 single protein format
CHEMBL3582140 OBDepict CH 3 O O O H 3 C H H O O O O H 3 C O H 3 C H 3 C F IC50 = 97.1 nM 498.5 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1cccc(F)c1)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL83 OBDepict CH 3 O N CH 3 CH 3 Ki = 100.0 nM 371.52 CC/C(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Homo sapiens CHEMBL754774 single protein format
CHEMBL347534 OBDepict CH 3 O O O HN NH 2 Ki = 100.0 nM 344.37 COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12 Homo sapiens CHEMBL753510 single protein format
CHEMBL4077753 OBDepict CH 3 O O O CH 3 CH 3 N H O S N CH 3 H 3 C N H O F F IC50 = 100.0 nM 511.59 COc1cc(C(=O)NC(c2nc(C(=O)NC3CCC(F)(F)CC3)cs2)C(C)C)cc(OC)c1OC Homo sapiens CHEMBL4027824 cell-based format
CHEMBL495060 OBDepict CH 3 O O H H 3 C H O O H CH 3 H O O H CH 3 H 3 C O IC50 = 100.0 nM 520.62 CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)c1ccccc1 Homo sapiens CHEMBL4811985 cell-based format
CHEMBL3582172 OBDepict H 3 C O O O CH 3 O H H O O CH 3 O O H 3 C O CH 3 CH 3 IC50 = 107.3 nM 432.43 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)C2=O Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3612170 OBDepict CH 3 N CH 3 N O S O N H F O O CH 3 O CH 3 CH 3 Ki = 120.0 nM 541.65 CCN(CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1C(=O)Nc2ccc(F)cc21 Homo sapiens CHEMBL3615230 cell-based format
CHEMBL3612151 OBDepict CH 3 N CH 3 N O S O N H F O O CH 3 O CH 3 CH 3 Ki = 120.0 nM 541.65 CCN(CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1/C(=O)Nc2ccc(F)cc21 Homo sapiens CHEMBL3615230 cell-based format
CHEMBL3233503 OBDepict CH 3 O O CH 3 O O H 3 C O O O H 3 C O H 3 C H 3 C IC50 = 120.0 nM 518.56 COc1cc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC Homo sapiens CHEMBL3239460 assay format
CHEMBL297453 OBDepict HO OH O H H O O OH HO OH OH OH OH IC50 = 124.1 nM 458.38 O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3601687 OBDepict CH 3 O O CH 3 O N O N H O O O CH 3 CH 3 O O IC50 = 125.8 nM 544.52 COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(C(=O)Nc3ccc4c(c3)C(=O)OC4)C2=O)cc1OC Homo sapiens CHEMBL3602146 cell-based format
CHEMBL2220507 OBDepict CH 3 O O CH 3 O N CH 3 H 3 C IC50 = 130.0 nM 323.39 COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2 Homo sapiens CHEMBL3239460 assay format
CHEMBL4517579 OBDepict H O HO CH 3 CH 3 H 3 C H H H OH H 3 C CH 3 H CH 3 H H 3 C H 3 C H H 2 N IC50 = 135.4 nM 475.76 CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](N)C(C)(C)[C@@H]4CC[C@]23C)O1 Homo sapiens CHEMBL4326816 cell-based format
CHEMBL3582160 OBDepict CH 3 O O O H 3 C H H HO O O CH 3 O H 3 C H 3 C IC50 = 135.9 nM 376.41 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](O)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL3233496 OBDepict CH 3 O O CH 3 O O O H 3 C O H 3 C H 3 C IC50 = 140.0 nM 410.47 COc1cc2c(cc1OC)C(=O)/C(=C/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 Homo sapiens CHEMBL3239460 assay format
CHEMBL486337 OBDepict CH 3 O O N O O H 3 C H 3 C IC50 = 140.0 nM 461.6 COc1cccc(CCc2ccccc2OCCCN2CCc3cc(OC)c(OC)cc3C2)c1 Homo sapiens CHEMBL938577 cell-based format
CHEMBL3233504 OBDepict CH 3 O O H 3 C O H 3 C O O O O H 3 C O H 3 C CH 3 IC50 = 140.0 nM 518.56 COc1cc(/C=C/C(=O)c2cccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC Homo sapiens CHEMBL3239460 assay format
CHEMBL3233502 OBDepict CH 3 O O CH 3 O O O O CH 3 CH 3 IC50 = 140.0 nM 458.51 COc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1OC Homo sapiens CHEMBL3239460 assay format
CHEMBL3580679 OBDepict H 3 C O O O H H O O CH 3 O O O CH 3 O H 3 C CH 3 CH 3 IC50 = 147.7 nM 510.54 COc1ccc(C(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4476238 OBDepict CH 3 O O CH 3 N O O CH 3 O H 3 C IC50 = 150.0 nM 437.54 COc1cc2c(cc1OC)CN(CCCCOc1ccc3c(C)c(C)c(=O)oc3c1)CC2 Homo sapiens CHEMBL4327486 cell-based format
CHEMBL148318 OBDepict HO N O N O F IC50 = 150.0 nM 434.51 O=C(c1ccccc1)c1ccccc1OCC(O)CN1CCN(c2ccc(F)cc2)CC1 Homo sapiens CHEMBL2061056 assay format
CHEMBL486534 OBDepict CH 3 O O N N H 3 C IC50 = 150.0 nM 382.55 COc1cccc(CCc2ccccc2OCCCCN2CCN(C)CC2)c1 Homo sapiens CHEMBL938577 cell-based format
CHEMBL4469705 OBDepict O NH S N N N H O H 3 C CH 3 H 3 C IC50 = 153.0 nM 534.69 Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)Nc3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1C Homo sapiens CHEMBL4356465 cell-based format
CHEMBL3582135 OBDepict CH 3 O O O H 3 C H H HO O O CH 3 O H 3 C H 3 C IC50 = 155.2 nM 376.41 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](O)C2 Homo sapiens CHEMBL3584050 cell-based format
CHEMBL4473596 OBDepict H 3 C O O CH 3 N O O H 3 C O CH 3 IC50 = 160.0 nM 485.58 COc1cc2c(cc1OC)CN(Cc1cccc(COc3ccc4c(C)c(C)c(=O)oc4c3)c1)CC2 Homo sapiens CHEMBL4327486 cell-based format
CHEMBL4539336 OBDepict CH 3 O O CH 3 N O O CH 3 O H 3 C IC50 = 160.0 nM 485.58 COc1cc2c(cc1OC)CN(Cc1ccccc1COc1ccc3c(C)c(C)c(=O)oc3c1)CC2 Homo sapiens CHEMBL4327486 cell-based format
CHEMBL4553676 OBDepict O HN S N N N H O H 3 C CH 3 CH 3 IC50 = 160.0 nM 574.75 Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)NC(c3ccccc3)c3ccccc3)n(-c3ccccc3)n2)cc1C Homo sapiens CHEMBL4356465 cell-based format