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Target
Cytochrome P450 3A4
Ligand
BDBM50316927
Substrate
n/a
Meas. Tech.
ChEMBL_630096 (CHEMBL1110016)
IC50
>5000±n/a nM
Citation
 Lavrador-Erb, K; Ravula, SB; Yu, J; Zamani-Kord, S; Moree, WJ; Petroski, RE; Wen, J; Malany, S; Hoare, SR; Madan, A; Crowe, PD; Beaton, G The discovery and structure-activity relationships of 2-(piperidin-3-yl)-1H-benzimidazoles as selective, CNS penetrating H1-antihistamines for insomnia. Bioorg Med Chem Lett 20:2916-9 (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:
BDBM50316927
Synonyms:
1-(4-methoxybenzyl)-2-(1-(tetrahydro-2H-pyran-4-yl)piperidin-3-yl)-1H-benzo[d]imidazole | CHEMBL1094852
Type:
Small organic molecule
Emp. Form.:
C25H31N3O2
Mol. Mass.:
405.5325
SMILES:
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCOCC2)cc1
Structure:
Search PDB for entries with ligand similarity: