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Target
Cytochrome P450 3A4
Ligand
BDBM50253513
Substrate
n/a
Meas. Tech.
ChEBML_1685713
IC50
23000±n/a nM
Citation
 Zhuang, L; Tice, CM; Xu, Z; Zhao, W; Cacatian, S; Ye, YJ; Singh, SB; Lindblom, P; McKeever, BM; Krosky, PM; Zhao, Y; Lala, D; Kruk, BA; Meng, S; Howard, L; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Guo, J; Guo, R; Himmelsbach, F; Hamilton, B; Schuler-Metz, A; Schauerte, H; Gregg, R; McGeehan, GM; Leftheris, K; Claremon, DA Discovery of BI 135585, an in vivo efficacious oxazinanone-based 11? hydroxysteroid dehydrogenase type 1 inhibitor. Bioorg Med Chem 25:3649-3657 (2017) [PubMed]  Article
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50253513
Synonyms:
CHEMBL4060843
Type:
Small organic molecule
Emp. Form.:
C26H28N2O3
Mol. Mass.:
416.5121
SMILES:
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccccn1 |r|
Structure:
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