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P31213 | S5A2_HUMAN | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 (SRD5A2)

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
CHEMBL138173 OBDepict O NH H 3 C H 3 C H O H H H H IC50 = 0.04 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 CHEMBL873205 single protein format
CHEMBL2282783 OBDepict O N H CH 3 H H H CH 3 H O O IC50 = 0.04 nM 451.65 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)OC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL3078155 single protein format
CHEMBL137733 OBDepict O N H CH 3 CH 3 H N H O H H H IC50 = 0.07 nM 450.67 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 Homo sapiens CHEMBL873205 single protein format
CHEMBL2282782 OBDepict O N H CH 3 H H H CH 3 H HN O IC50 = 0.07 nM 450.67 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL3078155 single protein format
CHEMBL420020 OBDepict CH 3 CH 3 O H CH 3 N H CH 3 O IC50 = 0.08 nM 357.54 CC(C)CC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL873205 single protein format
CHEMBL2282766 OBDepict CH 3 CH 3 O H CH 3 H H H N H CH 3 O IC50 = 0.08 nM 357.54 CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL3078155 single protein format
CHEMBL2282776 OBDepict O HN CH 3 H H H CH 3 H N H O IC50 = 0.09 nM 482.67 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL308258 OBDepict O HN CH 3 CH 3 H N H O IC50 = 0.09 nM 558.77 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL873205 single protein format
CHEMBL24088 OBDepict O NH H 3 C H 3 C H N H O IC50 = 0.09 nM 482.67 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL873205 single protein format
CHEMBL2282775 OBDepict O HN CH 3 H H H CH 3 H N H O IC50 = 0.09 nM 558.77 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL322749 OBDepict O HN CH 3 CH 3 N H O IC50 < 0.1 nM 468.64 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cccc(-c4ccccc4)c3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL322592 OBDepict O HN CH 3 CH 3 HN O CH 3 IC50 = 0.1 nM 406.57 Cc1ccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)cc1 Homo sapiens CHEMBL805433 single protein format
CHEMBL111142 OBDepict O N H CH 3 CH 3 N H O IC50 < 0.1 nM 468.64 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3-c3ccccc3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL432439 OBDepict O NH H 3 C H 3 C N H O F F F IC50 = 0.1 nM 460.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cccc(C(F)(F)F)c3)CCC12 Homo sapiens CHEMBL805433 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 < 0.1 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 CHEMBL4371137 single protein format
CHEMBL107565 OBDepict O HN CH 3 CH 3 HN O H 3 C IC50 < 0.1 nM 406.57 Cc1ccccc1NC(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C Homo sapiens CHEMBL805433 single protein format
CHEMBL283430 OBDepict Cl N O H CH 3 N H CH 3 Cl O IC50 < 0.1 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 CHEMBL809999 single protein format
CHEMBL111476 OBDepict O NH H 3 C H 3 C N H O F IC50 < 0.1 nM 410.53 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3F)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL110288 OBDepict O HN CH 3 CH 3 HN O F F F IC50 < 0.1 nM 460.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3C(F)(F)F)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL108028 OBDepict O NH H 3 C H 3 C N H O Cl IC50 < 0.1 nM 426.99 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3Cl)CCC12 Homo sapiens CHEMBL805433 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 IC50 < 0.1 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 CHEMBL809999 single protein format
CHEMBL277224 OBDepict O HN CH 3 CH 3 H HN O H 3 C H 3 C CH 3 F F F IC50 < 0.1 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 CHEMBL809999 single protein format
CHEMBL278787 OBDepict O HN CH 3 CH 3 H N H O F F F IC50 < 0.1 nM 460.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F Homo sapiens CHEMBL810008 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 IC50 < 0.1 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 CHEMBL809999 single protein format
CHEMBL264316 OBDepict O N H CH 3 CH 3 H HN O IC50 < 0.1 nM 468.64 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL810008 single protein format
CHEMBL3085538 OBDepict O N H CH 3 H H H CH 3 H O O H H H H IC50 < 0.1 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 CHEMBL809999 single protein format
CHEMBL108625 OBDepict O HN CH 3 CH 3 HN O Cl IC50 = 0.1 nM 426.99 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cccc(Cl)c3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL25664 OBDepict O HN CH 3 CH 3 H N H O IC50 < 0.1 nM 392.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1ccccc1 Homo sapiens CHEMBL810008 single protein format
CHEMBL283123 OBDepict Cl N O H CH 3 HN CH 3 H 3 C O IC50 < 0.1 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 CHEMBL809999 single protein format
CHEMBL445627 OBDepict O N H H CH 3 F F F F F F N H CH 3 CH 3 O IC50 = 0.1 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 CHEMBL805436 single protein format
CHEMBL2282649 OBDepict CH 3 CH 3 O H CH 3 H H H N CH 3 CH 3 O IC50 = 0.1 nM 371.57 CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CN(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL3078155 single protein format
CHEMBL80160 OBDepict CH 3 CH 3 O H CH 3 N CH 3 CH 3 O IC50 = 0.1 nM 371.57 CC(C)CC(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL810001 single protein format
CHEMBL282037 OBDepict O Cl NH H 3 C H 3 C H N H O F F F F F F IC50 < 0.1 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 CHEMBL809999 single protein format
CHEMBL108559 OBDepict O HN CH 3 CH 3 N H O F F F F F F IC50 < 0.1 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 CHEMBL805433 single protein format
CHEMBL323996 OBDepict O HN CH 3 CH 3 HN O IC50 < 0.1 nM 482.67 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CCC2C(=O)NC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL805433 single protein format
CHEMBL3706584 OBDepict O N H CH 3 CH 3 H HN O IC50 < 0.1 nM 448.65 C[C@]12C=CC(=O)C=C1NCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL810001 single protein 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 IC50 < 0.1 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 CHEMBL805436 single protein format
CHEMBL87021 OBDepict O NH H 3 C H 3 C H NH O Cl CH 3 CH 3 H 3 C IC50 < 0.1 nM 483.1 CC(C)(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805436 single protein format
CHEMBL314977 OBDepict O HN CH 3 CH 3 H HN O H 3 C H 3 C CH 3 Br IC50 < 0.1 nM 527.55 CC(C)(C)c1cc(Br)ccc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805436 single protein format
CHEMBL327702 OBDepict O HN CH 3 CH 3 H N H O F F F F F F IC50 < 0.1 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 CHEMBL805436 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 IC50 < 0.1 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 CHEMBL805436 single protein format
CHEMBL90440 OBDepict O NH H 3 C H 3 C H N H O Cl IC50 < 0.1 nM 509.13 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 Homo sapiens CHEMBL805436 single protein format
CHEMBL88485 OBDepict O N H CH 3 CH 3 H HN O CH 3 CH 3 CH 3 IC50 < 0.1 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 CHEMBL805436 single protein format
CHEMBL86418 OBDepict Cl N H O H CH 3 CH 3 O HO IC50 < 0.1 nM 522.13 C[C@]12CCC3C(CC=C4C=C(C(=O)O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL805436 single protein format
CHEMBL89557 OBDepict O N H CH 3 CH 3 H N H O Cl Cl IC50 < 0.1 nM 501.5 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL805436 single protein format
CHEMBL3706581 OBDepict O HN CH 3 CH 3 H N H O IC50 < 0.1 nM 480.65 C[C@]12C=CC(=O)C=C1NCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL810001 single protein format
CHEMBL77290 OBDepict O CH 3 NH H 3 C H 3 C H N H O IC50 < 0.1 nM 496.7 CC1=C2NCC3C4CC[C@H](C(=O)NC(c5ccccc5)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Homo sapiens CHEMBL810001 single protein format
CHEMBL430617 OBDepict O HN CH 3 CH 3 H O IC50 < 0.1 nM 397.6 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)CC1CCCCC1 Homo sapiens CHEMBL810001 single protein format
CHEMBL87082 OBDepict O N H CH 3 H 3 C H N H O H 3 C H 3 C H 3 C IC50 < 0.1 nM 524.75 CC(C)(C)c1ccc(-c2ccccc2)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805436 single protein format
CHEMBL76637 OBDepict O NH H 3 C H 3 C H O IC50 < 0.1 nM 427.59 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)c1cccc2ccccc12 Homo sapiens CHEMBL810001 single protein format
CHEMBL314725 OBDepict O NH H 3 C H 3 C H NH O Br CH 3 CH 3 H 3 C IC50 < 0.1 nM 527.55 CC(C)(C)c1ccc(Br)cc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805436 single protein format
CHEMBL314309 OBDepict O N H CH 3 CH 3 H N H O CH 3 CH 3 H 3 C IC50 < 0.1 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 CHEMBL805436 single protein format
CHEMBL310711 OBDepict O N CH 3 CH 3 CH 3 H NH O IC50 < 0.1 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 CHEMBL810001 single protein format
CHEMBL306781 OBDepict O HN CH 3 CH 3 H O F F IC50 < 0.1 nM 413.51 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)c1c(F)cccc1F Homo sapiens CHEMBL810001 single protein format
CHEMBL77024 OBDepict O N H CH 3 CH 3 H HN O IC50 < 0.1 nM 450.67 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL810001 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 IC50 < 0.1 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 CHEMBL805436 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 IC50 < 0.1 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 CHEMBL805436 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 IC50 < 0.1 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 CHEMBL805436 single protein format
CHEMBL307745 OBDepict CH 3 O H CH 3 N H CH 3 O IC50 < 0.1 nM 413.65 CCCCCCCCC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL810001 single protein format
CHEMBL306289 OBDepict O HN H CH 3 N H CH 3 CH 3 O IC50 < 0.1 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 CHEMBL810001 single protein format
CHEMBL305855 OBDepict O N H H CH 3 N H CH 3 Br O IC50 < 0.1 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 CHEMBL810001 single protein format
CHEMBL88032 OBDepict O N H CH 3 CH 3 H HN O CH 3 CH 3 CH 3 IC50 < 0.1 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 CHEMBL805436 single protein format
CHEMBL314953 OBDepict O HN CH 3 CH 3 H N H O Cl IC50 < 0.1 nM 495.11 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL805436 single protein format
CHEMBL412425 OBDepict O HN CH 3 CH 3 H NH O Cl Cl IC50 = 0.12 nM 551.56 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL809999 single protein format
CHEMBL2282773 OBDepict O HN CH 3 H H H CH 3 H N H O Cl Cl IC50 = 0.12 nM 551.56 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL436215 OBDepict O N H CH 3 CH 3 H N O IC50 = 0.13 nM 496.7 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)N(Cc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL873205 single protein format
CHEMBL2282777 OBDepict O N H CH 3 H H H CH 3 H N O IC50 = 0.13 nM 496.7 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N(Cc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL2282774 OBDepict O HN CH 3 H H H CH 3 H N H O F F IC50 = 0.16 nM 518.65 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL306722 OBDepict O HN CH 3 CH 3 H NH O F F IC50 = 0.16 nM 518.65 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 Homo sapiens CHEMBL810001 single protein format
CHEMBL420415 OBDepict O HN CH 3 CH 3 H N H O Cl IC50 = 0.18 nM 495.11 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL805436 single protein format
CHEMBL2282765 OBDepict O HN CH 3 H H H CH 3 H HN O H 3 C H 3 C CH 3 IC50 = 0.2 nM 448.65 CC(C)(C)c1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL3078155 single protein format
CHEMBL88494 OBDepict O NH H 3 C H 3 C H NH O CH 3 CH 3 H 3 C IC50 = 0.2 nM 448.65 CC(C)(C)c1ccccc1NC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL805436 single protein format
CHEMBL285599 OBDepict O HN CH 3 CH 3 H N H O IC50 = 0.2 nM 442.6 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)Nc1cccc2ccccc12 Homo sapiens CHEMBL810008 single protein format
CHEMBL89240 OBDepict O HN CH 3 CH 3 H N H O F F F F F F IC50 = 0.2 nM 528.54 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL805436 single protein format
CHEMBL324210 OBDepict O NH H 3 C H 3 C N H O IC50 = 0.2 nM 392.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL2282644 OBDepict O N H 3 C CH 3 H H H H 3 C H N H O IC50 = 0.2 nM 496.7 CN1C[C@H]2[C@@H]3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL3078155 single protein format
CHEMBL2282763 OBDepict O NH H 3 C H H H H 3 C H N H O F F F F F F IC50 = 0.2 nM 528.54 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL321617 OBDepict O HN CH 3 CH 3 N H O F IC50 = 0.2 nM 410.53 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccc(F)cc3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL323788 OBDepict O HN CH 3 CH 3 HN O F IC50 = 0.2 nM 410.53 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cccc(F)c3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL110398 OBDepict O HN CH 3 CH 3 HN O Br IC50 = 0.2 nM 471.44 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cccc(Br)c3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL25072 OBDepict O N H CH 3 CH 3 H N O CH 3 IC50 = 0.2 nM 406.57 CN(C(=O)[C@H]1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@@]21C)c1ccccc1 Homo sapiens CHEMBL810008 single protein format
CHEMBL109170 OBDepict O HN CH 3 CH 3 N H O Cl IC50 = 0.2 nM 426.99 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccc(Cl)cc3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL107654 OBDepict O N H CH 3 CH 3 N H O IC50 = 0.2 nM 442.6 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3cccc4ccccc34)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL306554 OBDepict O N H 3 C CH 3 H 3 C H N H O IC50 = 0.2 nM 496.7 CN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL810001 single protein format
CHEMBL107719 OBDepict O HN CH 3 CH 3 HN O IC50 = 0.2 nM 442.6 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccc4ccccc4c3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL312531 OBDepict O NH H 3 C H 3 C H N H O N IC50 = 0.23 nM 483.66 C[C@]12CCC3C(CNC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL810001 single protein format
CHEMBL2282771 OBDepict O HN CH 3 H H H CH 3 H N H O N IC50 = 0.23 nM 483.66 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL86832 OBDepict O HN CH 3 CH 3 H N H O Cl F F F IC50 = 0.27 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 CHEMBL805436 single protein format
CHEMBL2282647 OBDepict O N CH 3 CH 3 H H H CH 3 H N H O IC50 = 0.3 nM 464.69 CN1C[C@H]2[C@@H]3CC[C@H](C(=O)NC4C5CC6CC(C5)CC4C6)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL3078155 single protein format
CHEMBL2282640 OBDepict CH 3 O H CH 3 H H H N H CH 3 O IC50 = 0.3 nM 343.51 CCCC(=O)[C@H]1CC[C@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL3078155 single protein format
CHEMBL311577 OBDepict CH 3 O H CH 3 N H CH 3 O IC50 = 0.3 nM 343.51 CCCC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C Homo sapiens CHEMBL810001 single protein format
CHEMBL308107 OBDepict O N CH 3 CH 3 CH 3 H HN O IC50 = 0.3 nM 462.68 CN1CC2C(CC[C@@]3(C)C2CC[C@@H]3C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@]2(C)C=CC(=O)C=C12 Homo sapiens CHEMBL810001 single protein format
CHEMBL108151 OBDepict O HN CH 3 CH 3 HN O CH 3 IC50 = 0.3 nM 406.57 Cc1cccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)c1 Homo sapiens CHEMBL805433 single protein format
CHEMBL137691 OBDepict O N H CH 3 CH 3 H N O CH 3 CH 3 CH 3 H 3 C IC50 = 0.36 nM 400.61 CC(C)N(C(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)C(C)C Homo sapiens CHEMBL873205 single protein format
CHEMBL2282781 OBDepict O N H CH 3 H H H CH 3 H N O H 3 C H 3 C H 3 C CH 3 IC50 = 0.36 nM 400.61 CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C Homo sapiens CHEMBL3078155 single protein format
CHEMBL2282772 OBDepict O HN CH 3 H H H CH 3 H N H O IC50 = 0.4 nM 494.76 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(C1CCCCC1)C1CCCCC1 Homo sapiens CHEMBL3078155 single protein format
CHEMBL323033 OBDepict O HN CH 3 CH 3 HN O F F F IC50 = 0.4 nM 460.54 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccc(C(F)(F)F)cc3)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL24465 OBDepict O HN CH 3 CH 3 H N O IC50 = 0.4 nM 416.57 C[C@]12C=CC(=O)NC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)n1ccc2ccccc21 Homo sapiens CHEMBL810008 single protein format
CHEMBL321867 OBDepict O HN CH 3 CH 3 N O IC50 = 0.4 nM 416.57 C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)n3ccc4ccccc43)CCC12 Homo sapiens CHEMBL805433 single protein format
CHEMBL2282645 OBDepict O CH 3 N CH 3 CH 3 H H H CH 3 H N H O IC50 = 0.4 nM 478.72 CC1=C2N(C)C[C@H]3[C@@H]4CC[C@H](C(=O)NC5C6CC7CC(C6)CC5C7)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O Homo sapiens CHEMBL3078155 single protein format