Reaction Details Report a problem with these data
Target
Cytochrome P450 1B1
Ligand
BDBM50236955
Substrate
n/a
Meas. Tech.
ChEMBL_1659850 (CHEMBL4009462)
EC50
1000±n/a nM
Citation
 Horley, NJ; Beresford, KJ; Chawla, T; McCann, GJ; Ruparelia, KC; Gatchie, L; Sonawane, VR; Williams, IS; Tan, HL; Joshi, P; Bharate, SS; Kumar, V; Bharate, SB; Chaudhuri, B Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines. Eur J Med Chem 129:159-174 (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:
BDBM50236955
Synonyms:
CHEMBL4059677
Type:
Small organic molecule
Emp. Form.:
C18H13NO
Mol. Mass.:
259.10
SMILES:
O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Structure:
Search PDB for entries with ligand similarity: