Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50338522
Substrate
n/a
Meas. Tech.
ChEMBL_728486 (CHEMBL1685363)
IC50
>30000±n/a nM
Citation
 Atkinson, KA; Beretta, EE; Brown, JA; Castrodad, M; Chen, Y; Cosgrove, JM; Du, P; Litchfield, J; Makowski, M; Martin, K; McLellan, TJ; Neagu, C; Perry, DA; Piotrowski, DW; Steppan, CM; Trilles, R N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors. Bioorg Med Chem Lett 21:1621-5 (2011) [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:
BDBM50338522
Synonyms:
5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(trifluoromethyl)benzyl)-1H-imidazole-4-carboxamide | CHEMBL1683577
Type:
Small organic molecule
Emp. Form.:
C17H16F3N5O
Mol. Mass.:
363.337
SMILES:
Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1
Structure:
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