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Target
Cytochrome P450 3A4
Ligand
BDBM50325063
Substrate
n/a
Meas. Tech.
ChEMBL_651640 (CHEMBL1228178)
IC50
>50000±n/a nM
Citation
 Davenport, AJ; Stimson, CC; Corsi, M; Vaidya, D; Glenn, E; Jones, TD; Bailey, S; Gemkow, MJ; Fritz, U; Hallett, DJ Discovery of substituted benzyl tetrazoles as histamine H3 receptor antagonists. Bioorg Med Chem Lett 20:5165-9 (2010) [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:
BDBM50325063
Synonyms:
4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)-N-methylbenzamide | CHEMBL1221429
Type:
Small organic molecule
Emp. Form.:
C26H33N7O
Mol. Mass.:
459.5865
SMILES:
CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: