Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50390221
Substrate
n/a
Meas. Tech.
ChEMBL_834925 (CHEMBL2073335)
IC50
1100±n/a nM
Citation
 Tamura, Y; Omori, N; Kouyama, N; Nishiura, Y; Hayashi, K; Watanabe, K; Tanaka, Y; Chiba, T; Yukioka, H; Sato, H; Okuno, T Design, synthesis and identification of novel benzimidazole derivatives as highly potent NPY Y5 receptor antagonists with attractive in vitro ADME profiles. Bioorg Med Chem Lett 22:5498-502 (2012) [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:
BDBM50390221
Synonyms:
CHEMBL2070146
Type:
Small organic molecule
Emp. Form.:
C21H17FN2O2S
Mol. Mass.:
380.435
SMILES:
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1F
Structure:
Search PDB for entries with ligand similarity: