Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50392368
Substrate
n/a
Meas. Tech.
ChEMBL_851675 (CHEMBL2157274)
IC50
25000000±n/a nM
Citation
 Packiarajan, M; Ferreira, CG; Hong, SP; White, AD; Chandrasena, G; Pu, X; Brodbeck, RM; Robichaud, AJ Azetidinyl oxadiazoles as potent mGluR5 positive allosteric modulators. Bioorg Med Chem Lett 22:6469-74 (2012) [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:
BDBM50392368
Synonyms:
CHEMBL2151497
Type:
Small organic molecule
Emp. Form.:
C18H18ClF2N3O2
Mol. Mass.:
381.804
SMILES:
FC1(F)CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: