Reaction Details Report a problem with these data
Target
Cytochrome P450 1B1
Ligand
BDBM50241084
Substrate
n/a
Meas. Tech.
ChEMBL_652515 (CHEMBL1225718)
IC50
20±n/a nM
Citation
 Takemura, H; Itoh, T; Yamamoto, K; Sakakibara, H; Shimoi, K Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem 18:6310-5 (2010) [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:
BDBM50241084
Synonyms:
3'-Methoxyapigenin | 4',5,7-trihydroxy-3'-methoxyflavone | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one | CHEMBL214321 | Chryseriol | Chrysoeriol | Chrysoeriol (26) | Luteolin 3'-methyl ether | cid_5280666
Type:
Small organic molecule
Emp. Form.:
C16H12O6
Mol. Mass.:
300.2629
SMILES:
COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Structure:
Search PDB for entries with ligand similarity: