Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50296848
Substrate
n/a
Meas. Tech.
ChEMBL_582711 (CHEMBL1054973)
IC50
>10000±n/a nM
Citation
 Sandham, DA; Adcock, C; Bala, K; Barker, L; Brown, Z; Dubois, G; Budd, D; Cox, B; Fairhurst, RA; Furegati, M; Leblanc, C; Manini, J; Profit, R; Reilly, J; Stringer, R; Schmidt, A; Turner, KL; Watson, SJ; Willis, J; Williams, G; Wilson, C 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett 19:4794-8 (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:
BDBM50296848
Synonyms:
2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid | CHEMBL563949
Type:
Small organic molecule
Emp. Form.:
C16H12F2N2O4S
Mol. Mass.:
366.339
SMILES:
Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Structure:
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