Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50209380
Substrate
n/a
Meas. Tech.
ChEMBL_438598 (CHEMBL887758)
IC50
52±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 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50209380
Synonyms:
(S)-3-(6-bromo-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(1-hydroxy-3-phenylpropan-2-ylamino)pyridin-2(1H)-one | CHEMBL397667
Type:
Small organic molecule
Emp. Form.:
C22H21BrN4O2
Mol. Mass.:
453.332
SMILES:
Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: