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Target
Cytochrome P450 3A4
Ligand
BDBM50505787
Substrate
n/a
Meas. Tech.
ChEMBL_1824053 (CHEMBL4323817)
IC50
>20000±n/a nM
Citation
 Wortmann, L; Lindenthal, B; Muhn, P; Walter, A; Nubbemeyer, R; Heldmann, D; Sobek, L; Morandi, F; Schrey, AK; Moosmayer, D; Günther, J; Kuhnke, J; Koppitz, M; Lücking, U; Röhn, U; Schäfer, M; Nowak-Reppel, K; Kühne, R; Weinmann, H; Langer, G Discovery of BAY-298 and BAY-899: Tetrahydro-1,6-naphthyridine-Based, Potent, and Selective Antagonists of the Luteinizing Hormone Receptor Which Reduce Sex Hormone Levels in Vivo. J Med Chem 62:10321-10341 (2019) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A4
Synonyms:
CP3A4_HUMAN | CYP3A4 | CYP3A3 | Albendazole monooxygenase | Albendazole sulfoxidase | 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:
Human
Description:
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50505787
Synonyms:
CHEMBL4537998
Type:
Small organic molecule
Emp. Form.:
C27H21ClFN3O2
Mol. Mass.:
473.94
SMILES:
Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Structure:
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