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P18405 | S5A1_HUMAN | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 (SRD5A1)

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
CHEMBL86832 OBDepict O HN CH 3 CH 3 H N H O Cl F F F Ki = 0.13 nM 494.99 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1c(Cl)cccc1C(F)(F)F Homo sapiens CHEMBL808553 single protein format
CHEMBL445627 OBDepict O N H H CH 3 F F F F F F N H CH 3 CH 3 O Ki = 0.2 nM 542.56 CC1=C2NCC3C4CC[C@H](C(=O)Nc5c(C(F)(F)F)cccc5C(F)(F)F)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL808554 single protein format
CHEMBL25183 OBDepict O CH 3 NH H 3 C H 3 C H N H O F F F F F F Ki = 0.2 nM 542.56 CC1=C2NCC3C4CC[C@H](C(=O)Nc5cc(C(F)(F)F)ccc5C(F)(F)F)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL816493 single protein format
CHEMBL282037 OBDepict O Cl NH H 3 C H 3 C H N H O F F F F F F Ki = 0.2 nM 562.98 C[C@]12CCC3C(CNC4=C(Cl)C(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F Homo sapiens CHEMBL816493 single protein format
CHEMBL2115222 OBDepict O Cl HN CH 3 H H H CH 3 H N H O F F F F F F Ki = 0.2 nM 562.98 C[C@]12CC[C@H]3[C@@H](CNC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1c(C(F)(F)F)cccc1C(F)(F)F Homo sapiens CHEMBL808554 single protein format
CHEMBL283123 OBDepict Cl N O H CH 3 HN CH 3 H 3 C O Ki = 0.3 nM 509.13 CC1=C2NCC3C4CC[C@H](C(=O)N(c5ccc(Cl)cc5)C5CCCC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL816493 single protein format
CHEMBL421735 OBDepict O CH 3 NH H 3 C H 3 C H N H O CH 3 CH 3 H 3 C F F F Ki = 0.5 nM 530.68 CC1=C2NCC3C4CC[C@H](C(=O)Nc5c(C(C)(C)C)cccc5C(F)(F)F)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL808554 single protein format
CHEMBL421627 OBDepict H 3 C H 3 C CH 3 CH 3 H CH 3 CH 3 N CH 3 O IC50 = 0.6 nM 413.69 CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(=O)N(C)C1=C[C@@H]3C Homo sapiens CHEMBL816487 single protein format
CHEMBL283430 OBDepict Cl N O H CH 3 N H CH 3 Cl O Ki = 0.6 nM 529.55 C[C@]12CCC3C(CNC4=C(Cl)C(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)N(c1ccc(Cl)cc1)C1CCCC1 Homo sapiens CHEMBL816493 single protein format
CHEMBL25448 OBDepict H 3 C H 3 C CH 3 H CH 3 H CH 3 CH 3 N CH 3 O IC50 = 0.9 nM 415.71 CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCC(=O)N(C)C1C[C@@H]3C Homo sapiens CHEMBL816491 single protein format
CHEMBL420415 OBDepict O HN CH 3 CH 3 H N H O Cl IC50 = 0.9 nM 495.11 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL804516 single protein format
CHEMBL275153 OBDepict CH 3 N H O CH 3 CH 3 H N CH 3 O IC50 = 0.91 nM 402.62 CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL307745 OBDepict CH 3 O H CH 3 N H CH 3 O Ki = 1.0 nM 413.65 CCCCCCCCC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL816494 single protein format
CHEMBL306289 OBDepict O HN H CH 3 N H CH 3 CH 3 O Ki = 1.1 nM 464.69 CC1=C2NCC3C4CC[C@H](C(=O)NC56CC7CC(CC(C7)C5)C6)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL816494 single protein format
CHEMBL87805 OBDepict O HN CH 3 CH 3 H HN O H 3 C CH 3 H 3 C CH 3 H 3 C CH 3 Ki = 1.3 nM 580.86 CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(NC(=O)[C@H]3CCC4C5CNC6=CC(=O)CC[C@]6(C)C5CC[C@@]43C)c2)cc1 Homo sapiens CHEMBL808554 single protein format
CHEMBL88032 OBDepict O N H CH 3 CH 3 H HN O CH 3 CH 3 CH 3 Ki = 1.5 nM 530.8 CC(C)(C)c1ccc(C2(NC(=O)[C@H]3CCC4C5CNC6=CC(=O)CC[C@]6(C)C5CC[C@@]43C)CCCCC2)cc1 Homo sapiens CHEMBL808554 single protein format
CHEMBL126686 OBDepict H 3 C H 3 C CH 3 CH 3 H CH 3 CH 3 N H O IC50 = 1.6 nM 399.66 CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)C=CC(=O)NC1C[C@@H]3C Homo sapiens CHEMBL816487 single protein format
CHEMBL340027 OBDepict CH 3 CH 3 H 3 C CH 3 CH 3 N CH 3 O IC50 = 1.7 nM 401.68 CC(C)CCCC(C)C1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C Homo sapiens CHEMBL816487 single protein format
CHEMBL24193 OBDepict H 3 C H 3 C CH 3 H CH 3 CH 3 N CH 3 O IC50 = 1.7 nM 401.68 CC(C)CCCC(C)[C@H]1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL816491 single protein format
CHEMBL2298601 OBDepict CH 3 N O H 3 C H CH 3 H H H CH 3 H N CH 3 O IC50 = 1.7 nM 388.6 CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL816491 single protein format
CHEMBL280015 OBDepict CH 3 N H O CH 3 CH 3 CH 3 H N CH 3 O IC50 = 1.77 nM 458.73 CCCCCN(C(=O)CCCC)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL128023 OBDepict H 3 C H 3 C CH 3 CH 3 H CH 3 CH 3 N CH 3 O IC50 = 2.0 nM 413.69 CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)C=CC(=O)N(C)C1C[C@@H]3C Homo sapiens CHEMBL816487 single protein format
CHEMBL17245 OBDepict H 3 C O N H O CH 3 CH 3 H N H 3 C O IC50 = 2.11 nM 514.71 COc1ccc(N(C(=O)c2ccccc2)[C@H]2CCC3C4CC[C@H]5N(C)C(=O)CC[C@]5(C)C4CC[C@@]32C)cc1 Homo sapiens CHEMBL805444 cell-based format
CHEMBL17222 OBDepict O N H CH 3 H 3 C H 3 C CH 3 H N CH 3 O IC50 = 2.19 nM 402.62 CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL16863 OBDepict O N H CH 3 H 3 C CH 3 H 3 C CH 3 H N CH 3 O IC50 = 2.35 nM 416.65 CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4N(C=O)CCC(C)(C)C)C3CC[C@@H]12 Homo sapiens CHEMBL805444 cell-based format
CHEMBL283245 OBDepict O HN CH 3 CH 3 H N H O F F F F F F IC50 = 2.4 nM 528.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F Homo sapiens CHEMBL816491 single protein format
CHEMBL274269 OBDepict H 3 C N H O CH 3 Br CH 3 H N CH 3 O IC50 = 2.42 nM 537.63 CCCCCN(C(=O)CCCCBr)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL338376 OBDepict H 3 C H 3 C CH 3 CH 3 H CH 3 CH 3 N H O IC50 = 2.5 nM 399.66 CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(=O)NC1=C[C@@H]3C Homo sapiens CHEMBL816487 single protein format
CHEMBL340181 OBDepict CH 3 CH 3 H 3 C CH 3 CH 3 N H O IC50 = 2.6 nM 387.65 CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C Homo sapiens CHEMBL816487 single protein format
CHEMBL340715 OBDepict H 3 C H 3 C CH 3 CH 3 H CH 3 CH 3 N H O IC50 = 2.6 nM 401.68 CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(=O)NC1C[C@@H]3C Homo sapiens CHEMBL816487 single protein format
CHEMBL118446 OBDepict Cl N CH 3 O Ki = 2.7 nM 247.72 CC1=C2CCc3cc(Cl)ccc3N2CCC1=O Homo sapiens CHEMBL811334 cell-based format
CHEMBL340684 OBDepict H 3 C H N H CH 3 CH 3 O H 3 C CH 3 H 3 C IC50 = 2.7 nM 415.71 CC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21 Homo sapiens CHEMBL816487 single protein format
CHEMBL276320 OBDepict O N CH 3 H CH 3 CH 3 H N O IC50 = 2.93 nM 484.68 CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4N(C(=O)c4ccccc4)c4ccccc4)C3CC[C@@H]12 Homo sapiens CHEMBL805444 cell-based format
CHEMBL314309 OBDepict O N H CH 3 CH 3 H N H O CH 3 CH 3 H 3 C Ki = 3.0 nM 516.77 CC(C)(C)c1ccc(C2(NC(=O)[C@H]3CCC4C5CNC6=CC(=O)CC[C@]6(C)C5CC[C@@]43C)CCCC2)cc1 Homo sapiens CHEMBL808554 single protein format
CHEMBL277053 OBDepict H 3 C N H O CH 3 CH 3 H N CH 3 O IC50 = 3.05 nM 388.6 CCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL90440 OBDepict O NH H 3 C H 3 C H N H O Cl Ki = 3.1 nM 509.13 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 Homo sapiens CHEMBL808554 single protein format
CHEMBL80160 OBDepict CH 3 CH 3 O H CH 3 N CH 3 CH 3 O Ki = 3.1 nM 371.57 CC(C)CC(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL816494 single protein format
CHEMBL311045 OBDepict H 3 C H 3 C O H CH 3 N H CH 3 Br O Ki = 3.2 nM 436.43 CC(C)CC(=O)[C@H]1CCC2C3CNC4=C(Br)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL816494 single protein format
CHEMBL16784 OBDepict H 3 C N H O H 3 C H 3 C H N CH 3 O IC50 = 3.22 nM 478.72 CCCCCN(C(=O)c1ccccc1)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL340305 OBDepict CH 3 N O CH 3 H CH 3 CH 3 CH 3 H 3 C CH 3 IC50 = 3.3 nM 429.73 CCN1C(=O)CC[C@]2(C)C3CC[C@]4(C)C(C(C)CCCC(C)C)CCC4C3[C@@H](C)CC12 Homo sapiens CHEMBL816487 single protein format
CHEMBL24958 OBDepict CH 3 N O CH 3 H CH 3 CH 3 H H 3 C CH 3 H 3 C IC50 = 3.3 nM 429.73 CCN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(C)CCCC(C)C)C3[C@@H](C)CC12 Homo sapiens CHEMBL816491 single protein format
CHEMBL278490 OBDepict CH 3 N O H CH 3 H 3 C CH 3 H N CH 3 O IC50 = 3.31 nM 444.7 CCCCCN(C(=O)CCC)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL328670 OBDepict O N H CH 3 H 3 C H N H O H 3 C H 3 C H 3 C Cl Ki = 3.4 nM 559.19 CC(C)(C)c1ccc(-c2ccc(Cl)cc2)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL808554 single protein format
CHEMBL130845 OBDepict O N CH 3 H H 3 C N IC50 = 3.4 nM 382.51 CN1C(=O)CC[C@]2(C)c3ccc(/C=C/c4cnc5ccccc5c4)cc3CC[C@@H]12 Homo sapiens CHEMBL882407 cell membrane format
CHEMBL88485 OBDepict O N H CH 3 CH 3 H HN O CH 3 CH 3 CH 3 Ki = 3.6 nM 544.82 CC(C)(C)c1ccc(C2(NC(=O)[C@H]3CCC4C5CNC6=CC(=O)CC[C@]6(C)C5CC[C@@]43C)CCCCCC2)cc1 Homo sapiens CHEMBL808554 single protein format
CHEMBL77290 OBDepict O CH 3 NH H 3 C H 3 C H N H O Ki = 3.6 nM 496.7 CC1=C2NCC3C4CC[C@H](C(=O)NC(c5ccccc5)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL816494 single protein format
CHEMBL4569322 OBDepict O HN H CH 3 H H H CH 3 H N H O F F F F F F IC50 = 3.9 nM 542.56 C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccccc1)(C(F)(F)F)C(F)(F)F Homo sapiens CHEMBL4371136 single protein format
CHEMBL430617 OBDepict O HN CH 3 CH 3 H O Ki = 4.0 nM 397.6 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)CC1CCCCC1 Homo sapiens CHEMBL816494 single protein format
CHEMBL327702 OBDepict O HN CH 3 CH 3 H N H O F F F F F F Ki = 4.0 nM 528.54 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F Homo sapiens CHEMBL808554 single protein format
CHEMBL1200969 OBDepict O NH H H 3 C H H H H 3 C H N H O F F F F F F IC50 = 4.0 nM 528.54 C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F Homo sapiens CHEMBL4371136 single protein format
CHEMBL314725 OBDepict O NH H 3 C H 3 C H NH O Br CH 3 CH 3 H 3 C Ki = 4.2 nM 527.55 CC(C)(C)c1ccc(Br)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL808554 single protein format
CHEMBL125855 OBDepict CH 3 CH 3 H 3 C CH 3 CH 3 N CH 3 O IC50 = 4.3 nM 399.66 CC(C)CCCC(C)C1CCC2C3CC=C4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C Homo sapiens CHEMBL816487 single protein format
CHEMBL305855 OBDepict O N H H CH 3 N H CH 3 Br O Ki = 4.5 nM 529.56 C[C@]12CCC3C(CNC4=C(Br)C(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL816494 single protein format
CHEMBL17194 OBDepict CH 3 N H O CH 3 H 3 C CH 3 H N CH 3 O IC50 = 4.56 nM 430.68 CCCCCN(C(=O)CC)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL87082 OBDepict O N H CH 3 H 3 C H N H O H 3 C H 3 C H 3 C Ki = 4.6 nM 524.75 CC(C)(C)c1ccc(-c2ccccc2)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL808554 single protein format
CHEMBL89327 OBDepict O NH H 3 C H 3 C H NH O CH 3 H 3 C CH 3 H 3 C CH 3 H 3 C Ki = 5.0 nM 504.76 CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@H]2CCC3C4CNC5=CC(=O)CC[C@]5(C)C4CC[C@@]32C)c1 Homo sapiens CHEMBL808554 single protein format
CHEMBL2298601 OBDepict CH 3 N O H 3 C H CH 3 H H H CH 3 H N CH 3 O Ki = 5.0 nM 388.6 CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL816494 single protein format
CHEMBL338207 OBDepict CH 3 CH 3 H 3 C CH 3 CH 3 N H O IC50 = 5.0 nM 385.64 CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C Homo sapiens CHEMBL816487 single protein format
CHEMBL274276 OBDepict CH 3 N H O CH 3 CH 3 H N CH 3 O IC50 = 5.08 nM 374.57 CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL314977 OBDepict O HN CH 3 CH 3 H HN O H 3 C H 3 C CH 3 Br Ki = 5.3 nM 527.55 CC(C)(C)c1cc(Br)ccc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL808554 single protein format
CHEMBL16700 OBDepict H 3 C O N H O CH 3 CH 3 CH 3 CH 3 H N H 3 C O IC50 = 5.44 nM 480.69 COc1ccc(N(C(=O)C(C)C)[C@H]2CCC3C4CC[C@H]5N(C)C(=O)CC[C@]5(C)C4CC[C@@]32C)cc1 Homo sapiens CHEMBL805444 cell-based format
CHEMBL278787 OBDepict O HN CH 3 CH 3 H N H O F F F IC50 = 5.6 nM 460.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F Homo sapiens CHEMBL816491 single protein format
CHEMBL110288 OBDepict O HN CH 3 CH 3 HN O F F F IC50 = 5.6 nM 460.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3C(F)(F)F)CCC12 Homo sapiens CHEMBL882394 single protein format
CHEMBL276527 OBDepict O N H CH 3 CH 3 H N CH 3 O IC50 = 5.63 nM 422.61 CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4N(C=O)Cc4ccccc4)C3CC[C@@H]12 Homo sapiens CHEMBL805444 cell-based format
CHEMBL127702 OBDepict H 3 C H N CH 3 CH 3 CH 3 O H 3 C CH 3 H 3 C IC50 = 5.7 nM 429.73 CC[C@H]1CC2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21 Homo sapiens CHEMBL816487 single protein format
CHEMBL118319 OBDepict CH 3 N CH 3 O Ki = 5.8 nM 227.31 CC1=C2CCc3cc(C)ccc3N2CCC1=O Homo sapiens CHEMBL811334 cell-based format
CHEMBL108559 OBDepict O HN CH 3 CH 3 N H O F F F F F F IC50 = 5.8 nM 528.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12 Homo sapiens CHEMBL882394 single protein format
CHEMBL129017 OBDepict O N CH 3 H H 3 C IC50 = 6.0 nM 331.46 CN1C(=O)CC[C@]2(C)c3ccc(/C=Cc4ccccc4)cc3CC[C@@H]12 Homo sapiens CHEMBL810255 cell membrane format
CHEMBL307398 OBDepict O HN H CH 3 N CH 3 CH 3 CH 3 O Ki = 6.2 nM 478.72 CC1=C2N(C)CC3C4CC[C@H](C(=O)NC56CC7CC(CC(C7)C5)C6)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL816494 single protein format
CHEMBL306554 OBDepict O N H 3 C CH 3 H 3 C H N H O Ki = 6.4 nM 496.7 CN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL816494 single protein format
CHEMBL89557 OBDepict O N H CH 3 CH 3 H N H O Cl Cl Ki = 6.7 nM 501.5 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL808554 single protein format
CHEMBL314953 OBDepict O HN CH 3 CH 3 H N H O Cl Ki = 6.8 nM 495.11 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL808554 single protein format
CHEMBL109170 OBDepict O HN CH 3 CH 3 N H O Cl IC50 = 6.8 nM 426.99 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccc(Cl)cc3)CCC12 Homo sapiens CHEMBL882394 single protein format
CHEMBL3085538 OBDepict O N H CH 3 H H H CH 3 H O O H H H H Ki = 6.9 nM 451.65 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 Homo sapiens CHEMBL816493 single protein format
CHEMBL138173 OBDepict O NH H 3 C H 3 C H O H H H H Ki = 6.9 nM 435.65 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 Homo sapiens CHEMBL701910 single protein format
CHEMBL17506 OBDepict H 3 C N H O CH 3 CH 3 H N CH 3 O IC50 = 7.25 nM 416.65 CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL16690 OBDepict O N H CH 3 CH 3 H 3 C CH 3 H N CH 3 O IC50 = 7.31 nM 388.6 CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL87021 OBDepict O NH H 3 C H 3 C H NH O Cl CH 3 CH 3 H 3 C Ki = 7.5 nM 483.1 CC(C)(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL808554 single protein format
CHEMBL118446 OBDepict Cl N CH 3 O IC50 = 7.6 nM 247.72 CC1=C2CCc3cc(Cl)ccc3N2CCC1=O Homo sapiens CHEMBL810258 cell-based format
CHEMBL111476 OBDepict O NH H 3 C H 3 C N H O F IC50 = 7.9 nM 410.53 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3F)CCC12 Homo sapiens CHEMBL882394 single protein format
CHEMBL25516 OBDepict O HN CH 3 CH 3 H HN O CH 3 H 3 C CH 3 CH 3 CH 3 H 3 C Ki = 8.0 nM 504.76 CC(C)(C)c1cc(NC(=O)[C@H]2CCC3C4CNC5=CC(=O)CC[C@]5(C)C4CC[C@@]32C)cc(C(C)(C)C)c1 Homo sapiens CHEMBL816493 single protein format
CHEMBL24955 OBDepict Cl H H N CH 3 O IC50 = 8.0 nM 249.74 CN1C(=O)CC[C@@H]2c3ccc(Cl)cc3CC[C@H]21 Homo sapiens CHEMBL873905 assay format
CHEMBL279745 OBDepict CH 3 O H 3 C O N O OH IC50 = 8.0 nM 469.58 CCCc1ccc(OC(C)c2ccc(C(=O)c3cn(CCCC(=O)O)c4ccccc34)cc2)cc1 Homo sapiens CHEMBL816491 single protein format
CHEMBL116999 OBDepict Br N CH 3 O IC50 = 8.1 nM 292.18 CC1=C2CCc3cc(Br)ccc3N2CCC1=O Homo sapiens CHEMBL810259 assay format
CHEMBL107654 OBDepict O N H CH 3 CH 3 N H O IC50 = 8.1 nM 442.6 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cccc4ccccc34)CCC12 Homo sapiens CHEMBL882394 single protein format
CHEMBL285599 OBDepict O HN CH 3 CH 3 H N H O IC50 = 8.1 nM 442.6 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1cccc2ccccc12 Homo sapiens CHEMBL816491 single protein format
CHEMBL308258 OBDepict O HN CH 3 CH 3 H N H O Ki = 8.2 nM 558.77 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL816494 single protein format
CHEMBL125209 OBDepict CH 3 H N CH 3 H 3 C H 3 C O H 3 C CH 3 H 3 C IC50 = 8.4 nM 441.74 CCC[C@H]1C=C2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21 Homo sapiens CHEMBL816487 single protein format
CHEMBL310711 OBDepict O N CH 3 CH 3 CH 3 H NH O Ki = 8.5 nM 464.69 CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL816494 single protein format
CHEMBL125256 OBDepict Cl N CH 3 CH 3 O IC50 = 8.5 nM 261.75 CC1=C2CC(C)c3cc(Cl)ccc3N2CCC1=O Homo sapiens CHEMBL810257 cell-based format
CHEMBL76260 OBDepict O HN H CH 3 N CH 3 CH 3 Br O Ki = 8.6 nM 543.59 CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C(Br)=C12 Homo sapiens CHEMBL816494 single protein format
CHEMBL332781 OBDepict CH 3 H NH H 3 C H 3 C O H 3 C CH 3 H 3 C IC50 = 8.6 nM 413.69 CC[C@H]1C=C2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21 Homo sapiens CHEMBL816487 single protein format
CHEMBL117159 OBDepict O CH 3 N IC50 = 8.75 nM 313.4 CC1=C2CCc3cc(C#Cc4ccccc4)ccc3N2CCC1=O Homo sapiens CHEMBL810259 assay format
CHEMBL277224 OBDepict O HN CH 3 CH 3 H HN O H 3 C H 3 C CH 3 F F F Ki = 8.8 nM 516.65 CC(C)(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL816493 single protein format
CHEMBL420020 OBDepict CH 3 CH 3 O H CH 3 N H CH 3 O Ki = 9.0 nM 357.54 CC(C)CC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL816494 single protein format
CHEMBL417109 OBDepict Cl H 3 C N CH 3 O Ki = 9.0 nM 263.77 CN1C(=O)CC[C@]2(C)c3ccc(Cl)cc3CCC12 Homo sapiens CHEMBL808567 single protein format
CHEMBL414427 OBDepict CH 3 H N H CH 3 CH 3 O H 3 C CH 3 H 3 C IC50 = 9.5 nM 429.73 CCC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21 Homo sapiens CHEMBL816487 single protein format
CHEMBL125260 OBDepict CH 3 H N CH 3 H 3 C H 3 C O H 3 C CH 3 H 3 C IC50 = 9.5 nM 427.72 CC[C@H]1C=C2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21 Homo sapiens CHEMBL816487 single protein format
CHEMBL17268 OBDepict O N H CH 3 CH 3 CH 3 CH 3 H N CH 3 O IC50 = 9.53 nM 374.57 CC(C)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format
CHEMBL17206 OBDepict CH 3 N H O CH 3 CH 3 H N CH 3 O IC50 = 9.57 nM 430.68 CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805444 cell-based format