Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50084978
Substrate
n/a
Meas. Tech.
ChEMBL_459100 (CHEMBL926268)
IC50
3000±n/a nM
Citation
 Bruno, RD; Njar, VC Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development. Bioorg Med Chem 15:5047-60 (2007) [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:
BDBM50084978
Synonyms:
3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | CHEMBL40919 | Kaempferide | Kaempferol 4'-methyl ether
Type:
Small organic molecule
Emp. Form.:
C16H12O6
Mol. Mass.:
300.2629
SMILES:
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Structure:
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