Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50311749
Substrate
n/a
Meas. Tech.
ChEMBL_619260 (CHEMBL1100427)
IC50
29000±n/a nM
Citation
 Panchal, T; Bailey, N; Bamford, M; Demont, E; Elliott, R; Farre-Gutierrez, I; Garton, N; Hayhow, T; Hutley, G; Naylor, A Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs). Bioorg Med Chem Lett 19:6813-7 (2009) [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:
BDBM50311749
Synonyms:
1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)pyridin-2(1H)-one | CHEMBL1080472
Type:
Small organic molecule
Emp. Form.:
C23H24N4O
Mol. Mass.:
372.4629
SMILES:
Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-n1ccccc1=O
Structure:
Search PDB for entries with ligand similarity: