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Target
Cytochrome P450 1B1
Ligand
BDBM50452355
Substrate
n/a
Meas. Tech.
ChEMBL_1747438 (CHEMBL4181948)
IC50
32±n/a nM
Citation
 Horley, NJ; Beresford, KJM; Kaduskar, S; Joshi, P; McCann, GJP; Ruparelia, KC; Williams, IS; Gatchie, L; Sonawane, VR; Bharate, SB; Chaudhuri, B (E)-3-(3,4,5-Trimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one, a heterocyclic chalcone is a potent and selective CYP1A1 inhibitor and cancer chemopreventive agent. Bioorg Med Chem Lett 27:5409-5414 (2017) [PubMed]  Article 
Target
Name:
Cytochrome P450 1B1
Synonyms:
Cytochrome P450 1B1 (CYP1B1) | CYPIB1 | CP1B1_HUMAN | CYP1B1
Type:
PROTEIN
Mol. Mass.:
60861.81
Organism:
Human
Description:
ChEMBL_1474523
Residue:
543
Sequence:
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLIGNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAFASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSLVDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSAEKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVVFVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKETCQ
  
Inhibitor
Name:
BDBM50452355
Synonyms:
CHEMBL2237710
Type:
Small organic molecule
Emp. Form.:
C17H17NO4
Mol. Mass.:
299.33
SMILES:
COc1ccc(\C=C\C(=O)c2ccncc2)c(OC)c1OC
Structure:
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