Reaction Details
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Target
Cytochrome P450 1A2
Ligand
BDBM50085526
Substrate
n/a
Meas. Tech.
ChEMBL_51367 (CHEMBL663698)
IC50
570000±n/a nM
Citation
More Info.:
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:
BDBM50085526
Synonyms:
(E)-3,5,30,40-Tetramethoxystilbene | 4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-1,2-dimethoxybenzene | 4-[2-(3,5-dimethoxyphenyl)-(E)-1-ethenyl]-1,2-dimethoxybenzene | CHEMBL44509
Type:
Small organic molecule
Emp. Form.:
C18H20O4
Mol. Mass.:
300.349
SMILES:
COc1cc(OC)cc(\C=C\c2ccc(OC)c(OC)c2)c1