Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50189987
Substrate
n/a
Meas. Tech.
ChEMBL_391269 (CHEMBL870465)
IC50
>18000±n/a nM
Citation
 Westaway, SM; Chung, YK; Davis, JB; Holland, V; Jerman, JC; Medhurst, SJ; Rami, HK; Stemp, G; Stevens, AJ; Thompson, M; Winborn, KY; Wright, J N-Tetrahydroquinolinyl, N-quinolinyl and N-isoquinolinyl biaryl carboxamides as antagonists of TRPV1. Bioorg Med Chem Lett 16:4533-6 (2006) [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:
BDBM50189987
Synonyms:
6-phenyl-N-(quinolin-7-yl)nicotinamide | CHEMBL213390 | N-quinolin-7-yl-6-phenylnicotinamide
Type:
Small organic molecule
Emp. Form.:
C21H15N3O
Mol. Mass.:
325.3633
SMILES:
O=C(Nc1ccc2cccnc2c1)c1ccc(nc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: