Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50297851
Substrate
n/a
Meas. Tech.
ChEMBL_584299 (CHEMBL1060933)
IC50
>5000±n/a nM
Citation
 Coon, T; Moree, WJ; Li, B; Yu, J; Zamani-Kord, S; Malany, S; Santos, MA; Hernandez, LM; Petroski, RE; Sun, A; Wen, J; Sullivan, S; Haelewyn, J; Hedrick, M; Hoare, SJ; Bradbury, MJ; Crowe, PD; Beaton, G Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett 19:4380-4 (2009) [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:
BDBM50297851
Synonyms:
2-(4-(1H-pyrazol-1-yl)piperidin-1-yl)-1-(4-fluorobenzyl)-1H-benzo[d]imidazole | CHEMBL551347
Type:
Small organic molecule
Emp. Form.:
C22H22FN5
Mol. Mass.:
375.442
SMILES:
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccn2)cc1
Structure:
Search PDB for entries with ligand similarity: