BDBM50344054 3',5-dihydroxy-4',6,7-trimethoxy flavone::6-methoxyluteolin-4',7-dimethyl ether::CHEMBL487402::eupatorin

SMILES: COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1

InChI Key: InChIKey=KLAOKWJLUQKWIF-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50344054   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50344054 (3',5-dihydroxy-4',6,7-trimethoxy flavone | 6-metho...) Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Crete Curated by ChEMBL					Assay Description Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin				Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50344054 (3',5-dihydroxy-4',6,7-trimethoxy flavone | 6-metho...) Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL					Assay Description Inhibition of CYP1B1 (unknown origin)				Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50344054 (3',5-dihydroxy-4',6,7-trimethoxy flavone | 6-metho...) Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Crete Curated by ChEMBL					Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin				Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK
					More data for this Ligand-Target Pair