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Target
Cytochrome P450 3A4
Ligand
BDBM50209383
Substrate
n/a
Meas. Tech.
ChEMBL_438600 (CHEMBL887697)
IC50
6300±n/a nM
Citation
 Velaparthi, U; Liu, P; Balasubramanian, B; Carboni, J; Attar, R; Gottardis, M; Li, A; Greer, A; Zoeckler, M; Wittman, MD; Vyas, D Imidazole moiety replacements in the 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one inhibitors of insulin-like growth factor receptor-1 (IGF-1R) to improve cytochrome P450 profile. Bioorg Med Chem Lett 17:3072-6 (2007) [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:
Human
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50209383
Synonyms:
(S)-3-(6-(4-fluorophenyl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(1-hydroxy-3-phenylpropan-2-ylamino)pyridin-2(1H)-one | CHEMBL230308
Type:
Small organic molecule
Emp. Form.:
C28H25FN4O2
Mol. Mass.:
468.5221
SMILES:
Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1
Structure:
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