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Target
Cytochrome P450 1A2
Ligand
BDBM50352216
Substrate
n/a
Meas. Tech.
ChEMBL_767544 (CHEMBL1825656)
IC50
14000±n/a nM
Citation
 Sime, M; Allan, AC; Chapman, P; Fieldhouse, C; Giblin, GM; Healy, MP; Lambert, MH; Leesnitzer, LM; Lewis, A; Merrihew, RV; Rutter, RA; Sasse, R; Shearer, BG; Wilson, TM; Xu, RX; Virley, DJ Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPAR¿ partial agonist. Bioorg Med Chem Lett 21:5568-72 (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:
BDBM50352216
Synonyms:
CHEMBL1821837
Type:
Small organic molecule
Emp. Form.:
C23H20F2N4O
Mol. Mass.:
406.4279
SMILES:
CC[C@@H](NC(=O)c1ccc2n(Cc3ncc(F)cc3F)cnc2c1)c1ccccc1 |r|
Structure:
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