Reaction Details Report a problem with these data
Target
Cytochrome P450 1B1
Ligand
BDBM50551090
Substrate
n/a
Meas. Tech.
ChEMBL_2029699 (CHEMBL4683857)
IC50
0.400000±n/a nM
Citation
 Zhou, L; Chen, W; Cao, C; Shi, Y; Ye, W; Hu, J; Wang, L; Zhou, W Design and synthesis of ?-naphthoflavone chimera derivatives able to eliminate cytochrome P450 (CYP)1B1-mediated drug resistance via targeted CYP1B1 degradation. Eur J Med Chem 189:0 (2020) [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:
BDBM50551090
Synonyms:
CHEMBL4748722
Type:
Small organic molecule
Emp. Form.:
C24H19N3O5
Mol. Mass.:
429.4248
SMILES:
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(cc1)-c1c[nH]nn1
Structure:
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