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Target
Cytochrome P450 1B1
Ligand
BDBM50452363
Substrate
n/a
Meas. Tech.
ChEMBL_1747469 (CHEMBL4181979)
EC50
10000±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:
CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1)
Type:
PROTEIN
Mol. Mass.:
60861.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1474523
Residue:
543
Sequence:
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLIGNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAFASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSLVDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSAEKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVVFVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKETCQ
  
Inhibitor
Name:
BDBM50452363
Synonyms:
CHEMBL4212722
Type:
Small organic molecule
Emp. Form.:
C15H13NO2
Mol. Mass.:
239.2692
SMILES:
COc1cccc(\C=C\C(=O)c2ccncc2)c1
Structure:
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