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Q9UNU6 | CP8B1_HUMAN | 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase (CYP8B1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4436614 OBDepict CH 3 N N H H 3 C H F F F N O N N N F F F IC50 = 0.17 nM 526.49 Cc1cnc2cc(C(F)(F)F)ccc2c1N1CC[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)[C@H](C)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4469186 OBDepict O N H H CH 3 N N O Cl F F F N N O IC50 = 0.2 nM 545.95 C[C@@H]1CN(c2c(Cl)cnc3cc(-c4ncco4)ccc23)CC[C@@H]1C(=O)N1CCc2c(noc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4566069 OBDepict CH 3 O N N + N O _ O H H 3 C H N O N N N F F F IC50 = 0.2 nM 519.48 COc1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c([N+](=O)[O-])cnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4453090 OBDepict CH 3 O N N Cl H H 3 C H N O N N N F F F IC50 = 0.2 nM 508.93 COc1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c(Cl)cnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4455566 OBDepict Cl N N H H 3 C H F F F N O N N N F F F IC50 = 0.2 nM 546.9 C[C@@H]1CN(c2c(Cl)cnc3cc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4445397 OBDepict O N H H CH 3 N N N N Cl F F F N O IC50 = 0.22 nM 549.0 C[C@@H]1CN(c2c(Cl)cnc3cc(OCC4CC4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4459136 OBDepict O N H H CH 3 N N N N Cl F F F N IC50 = 0.25 nM 518.97 C[C@@H]1CN(c2c(Cl)cnc3cc(C4CC4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4580955 OBDepict F N N H H 3 C H F F F N O N N N F F F IC50 = 0.25 nM 530.45 C[C@@H]1CN(c2c(F)cnc3cc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4452352 OBDepict O N H H H 3 C N N N N Cl F F F N O CH 3 IC50 = 0.28 nM 520.94 CC(=O)c1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c(Cl)cnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4450590 OBDepict CH 3 N N H H 3 C H F F CH 3 N O N N N F F F IC50 = 0.31 nM 522.52 Cc1cnc2cc(C(C)(F)F)ccc2c1N1CC[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)[C@H](C)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4588702 OBDepict O N H H H 3 C N N N N Cl F F F N F F IC50 = 0.32 nM 528.91 C[C@@H]1CN(c2c(Cl)cnc3cc(C(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4435552 OBDepict O N H H CH 3 N N N N F F F N O F F F IC50 = 0.34 nM 528.46 C[C@@H]1CN(c2ccnc3cc(OC(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4440278 OBDepict Cl N N H H 3 C O H N O F F F N N N F F F IC50 = 0.35 nM 562.9 C[C@@H]1CN(c2c(Cl)cnc3cc(OC(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4515054 OBDepict CH 3 O F N N Cl H H 3 C H N O N N N F F F IC50 = 0.38 nM 526.92 COc1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c(Cl)cnc2c1F Homo sapiens CHEMBL4418456 microsome format
CHEMBL4565048 OBDepict O N H H CH 3 N N N N F F F N N O IC50 = 0.4 nM 511.51 C[C@@H]1CN(c2ccnc3cc(-c4ncco4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4576569 OBDepict O N H H CH 3 N N N N F F F N IC50 = 0.4 nM 520.56 C[C@@H]1CN(c2ccnc3cc(-c4ccccc4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4462103 OBDepict O N H H CH 3 N N N N Cl F F F N N N IC50 = 0.4 nM 561.01 C[C@@H]1CN(c2c(Cl)cnc3c2CCN(c2ccccn2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4568439 OBDepict Br N N Cl H CH 3 H N O N N N F F F IC50 = 0.44 nM 557.8 C[C@@H]1CN(c2c(Cl)cnc3cc(Br)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4517730 OBDepict O N H H H 3 C N N N N F F F F N F F IC50 = 0.46 nM 512.46 C[C@@H]1CN(c2c(F)cnc3cc(C(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4461071 OBDepict Cl N N H H 3 C H F F CH 3 N O N N N F F F IC50 = 0.46 nM 542.94 C[C@@H]1CN(c2c(Cl)cnc3cc(C(C)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4438730 OBDepict O N H H CH 3 N N N N Cl N N O IC50 = 0.5 nM 518.02 C[C@@H]1CN(c2c(Cl)cnc3cc(-c4ncco4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4580260 OBDepict F N N H H 3 C H F F CH 3 N O N N N F F F IC50 = 0.57 nM 526.49 C[C@@H]1CN(c2c(F)cnc3cc(C(C)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4538016 OBDepict F N N Cl H CH 3 H N O N N N F F F IC50 = 0.6 nM 496.9 C[C@@H]1CN(c2c(Cl)cnc3cc(F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4468107 OBDepict O N H H CH 3 N N N N F F F N F F IC50 = 0.61 nM 534.53 C[C@@H]1CN(c2c(C(F)F)cnc3cc(C4CC4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4555467 OBDepict O N H H CH 3 N N N N F F F N ClH IC50 = 0.66 nM 520.99 C[C@@H]1CN(c2ccnc3cc(C4CC4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.Cl Homo sapiens CHEMBL4418456 microsome format
CHEMBL4548303 OBDepict CH 3 O N N H H 3 C H N O N N N F F F IC50 = 0.67 nM 514.55 COc1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c(C3CC3)cnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4530395 OBDepict O N H H CH 3 N N N N F F F N N IC50 = 0.7 nM 521.55 C[C@@H]1CN(c2ccnc3cc(-c4ccncc4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4554911 OBDepict H 3 C HN O N N Cl H H 3 C H N O N N N F F F IC50 = 0.7 nM 549.99 CCNC(=O)c1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c(Cl)cnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4554958 OBDepict F F N N F H CH 3 Cl H N O N N N F F F IC50 = 0.7 nM 546.9 C[C@@H]1CN(c2c(C(F)F)cnc3c(F)c(Cl)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4448749 OBDepict O N H H CH 3 N N N N Cl F F F N N O IC50 = 0.7 nM 545.95 C[C@@H]1CN(c2c(Cl)cnc3cc(-c4ncco4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4572213 OBDepict Cl N N N H H 3 C H N O F F F N N N F F F IC50 = 0.8 nM 565.95 C[C@@H]1CN(c2c(Cl)cnc3c2CCN(CC(F)(F)F)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4439430 OBDepict Cl + N N _ O H H 3 C H F F F N O N N N F F F IC50 = 0.8 nM 562.9 C[C@@H]1CN(c2c(Cl)c[n+]([O-])c3cc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4461268 OBDepict O N H H CH 3 N N N N Cl F F F N F IC50 = 0.9 nM 496.9 C[C@@H]1CN(c2c(Cl)cnc3c(F)cccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4474123 OBDepict O N H H CH 3 N N N N Cl F F F N N IC50 = 1.0 nM 538.02 C[C@@H]1CN(c2c(Cl)cnc3c2CCN(CC2CC2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4438423 OBDepict O N H H CH 3 N N N N F F F N F F F IC50 = 1.0 nM 512.46 C[C@@H]1CN(c2c(C(F)(F)F)cnc3ccccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4515105 OBDepict O N H H CH 3 N N N N F F F N F F H 3 C IC50 = 1.1 nM 508.5 C[C@@H]1CN(c2ccnc3cc(C(C)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4519936 OBDepict CH 3 O N N N Cl H H 3 C H N O N N N F F F IC50 = 1.2 nM 509.92 COc1cnc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c(Cl)cnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4468368 OBDepict O N H H CH 3 N N N N Cl F F F N S O O CH 3 IC50 = 1.2 nM 557.0 C[C@@H]1CN(c2c(Cl)cnc3cc(S(C)(=O)=O)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4452739 OBDepict O N H H H 3 C N N N N Cl F F F N OH CH 3 IC50 = 1.2 nM 522.96 CC(O)c1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c(Cl)cnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4555269 OBDepict Cl N N N H H 3 C H F F F N O N N N F F F IC50 = 1.3 nM 547.89 C[C@@H]1CN(c2c(Cl)cnc3nc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4592478 OBDepict O N H H H 3 C N N N N F F F N O N CH 3 IC50 = 1.4 nM 525.54 Cc1coc(-c2ccc3c(N4CC[C@H](C(=O)N5CCn6c(nnc6C(F)(F)F)C5)[C@H](C)C4)ccnc3c2)n1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4520631 OBDepict Cl N N F H CH 3 H N O N N N F F F IC50 = 1.7 nM 496.9 C[C@@H]1CN(c2c(F)cnc3cc(Cl)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4460219 OBDepict O N H H CH 3 N N N N Cl F F F N N O IC50 = 1.75 nM 552.0 C[C@@H]1CN(c2c(Cl)cnc3c2CCN(C(=O)C2CC2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4434819 OBDepict Cl N N H H 3 C H N O N N N F F F IC50 = 3.5 nM 478.91 C[C@@H]1CN(c2ccnc3ccc(Cl)cc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4474799 OBDepict O N H H CH 3 N N N N F F F N O IC50 = 3.6 nM 514.55 C[C@@H]1CN(c2ccnc3cc(OCC4CC4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4459888 OBDepict O N H H CH 3 N N N N F F F N O IC50 = 3.91 nM 550.59 C[C@@H]1CN(c2ccnc3cc(OCc4ccccc4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4535204 OBDepict H 3 C HN CH 3 O N N H H 3 C H N O N N N F F F IC50 = 4.5 nM 529.57 CC(C)NC(=O)c1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4514892 OBDepict O N H H CH 3 N N N N F F F N F F F IC50 = 5.2 nM 512.46 C[C@@H]1CN(c2ccnc3cc(C(F)(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4438582 OBDepict O N H H CH 3 N N N N F F F N O NH 2 O IC50 = 5.29 nM 557.58 C[C@@H]1CN(c2c(C(N)=O)cnc3cc(OCC4CC4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4469039 OBDepict O N H H CH 3 N N N N F F F N F F IC50 = 5.97 nM 494.47 C[C@@H]1CN(c2ccnc3cc(C(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4588950 OBDepict Cl N N H CH 3 H N O N N N F F F IC50 = 6.3 nM 478.91 C[C@@H]1CN(c2ccnc3cc(Cl)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4555917 OBDepict O N H H CH 3 N N N N F F F N N O O H 3 C H 3 C CH 3 IC50 = 8.2 nM 549.6 C[C@@H]1CN(c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4577908 OBDepict F O F N N H CH 3 H N O N N N F F F IC50 = 8.3 nM 510.47 C[C@@H]1CN(c2ccnc3cc(OC(F)F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4548206 OBDepict N N N H CH 3 H N O N N N F F F IC50 = 8.4 nM 469.47 C[C@@H]1CN(c2ccnc3cc(C#N)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4576338 OBDepict CH 3 N N O N N N Cl N F F F IC50 = 8.5 nM 478.91 CC1CN(c2ccnc3ccc(Cl)cc23)CCC1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4458789 OBDepict CH 3 O N N N H H 3 C H N O N N N F F F IC50 = 18.0 nM 475.48 COc1ccc2nccc(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)c2n1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4444714 OBDepict Cl N N N H CH 3 H N O N N N F F F IC50 = 18.0 nM 479.89 C[C@@H]1CN(c2ccnc3cc(Cl)cnc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4438677 OBDepict F N N H CH 3 H N O N N N F F F IC50 = 19.0 nM 462.45 C[C@@H]1CN(c2ccnc3cc(F)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4593871 OBDepict O N H H CH 3 N N N N F F F N N H O IC50 = 21.1 nM 553.59 C[C@@H]1CN(c2ccnc3cc(C(=O)NC45CC(C4)C5)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4519145 OBDepict O N H H CH 3 N N N N F F F N N H O IC50 = 23.6 nM 541.58 C[C@@H]1CN(c2ccnc3cc(C(=O)NCC4CC4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4558732 OBDepict F N N H 3 C CH 3 H H 3 C H N O N N N F F F IC50 = 37.0 nM 490.51 Cc1nc2ccc(F)cc2c(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c1C Homo sapiens CHEMBL4418456 microsome format
CHEMBL4526155 OBDepict O N H H CH 3 N N N N F F F N N N N IC50 = 41.7 nM 511.51 C[C@@H]1CN(c2ccnc3cc(-n4cncn4)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4441148 OBDepict O N H H CH 3 N N N N F F F N N O O CH 3 IC50 = 49.0 nM 547.58 C[C@@H]1CN(c2ccnc3c2CCN(C(=O)OC2(C)CC2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4553721 OBDepict F N N H H 3 C H N O N N N F F F IC50 = 52.0 nM 462.45 C[C@@H]1CN(c2ccnc3ccc(F)cc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4440002 OBDepict Cl Cl N N H CH 3 H N O N N N F F F IC50 = 111.0 nM 513.35 C[C@@H]1CN(c2ccnc3c(Cl)c(Cl)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4472435 OBDepict O N H H CH 3 N N N N F F F N N F F F IC50 = 120.0 nM 531.51 C[C@@H]1CN(c2ccnc3c2CCN(CC(F)(F)F)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4591309 OBDepict F F N N CH 3 H H 3 C H N O N N N F F F IC50 = 145.0 nM 494.47 Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2cc(F)cc(F)c2n1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4459757 OBDepict CH 3 O N N H H 3 C H N O N N N F F F IC50 = 237.0 nM 474.49 COc1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4590760 OBDepict F N N H 3 C H CH 3 H N O N N N F F F IC50 = 245.0 nM 476.48 Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2cc(F)ccc2n1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4442785 OBDepict O N H H CH 3 N N N N F F F N S O O CH 3 IC50 = 305.0 nM 522.55 C[C@@H]1CN(c2ccnc3cc(S(C)(=O)=O)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL4588436 OBDepict CH 3 O N N N H H 3 C H N O N N N F F F IC50 = 307.0 nM 475.48 COc1cnc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL808 OBDepict Cl O N Cl N Cl IC50 = 310.0 nM 381.69 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL4418432 microsome format
CHEMBL4456347 OBDepict H 3 C HN O N N H H 3 C H N O N N N F F F IC50 = 368.0 nM 515.54 CCNC(=O)c1ccc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1 Homo sapiens CHEMBL4418456 microsome format
CHEMBL104 OBDepict Cl N N IC50 = 800.0 nM 344.85 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Homo sapiens CHEMBL4418432 microsome format