BDBM50025321 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one::5,3',4'-Trihydroxy-6,7-dimethoxyflavone::CHEMBL72637::Cirsiliol

SMILES: COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1

InChI Key: InChIKey=IMEYGBIXGJLUIS-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50025321   

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 1A1 (Homo sapiens (Human))	BDBM50025321 (2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>800	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
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50025321 (2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>800	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
Aldose reductase (Rattus norvegicus)	BDBM50025321 (2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
INIFTA (UNLP, CCT La Plata-CONICET) Curated by ChEMBL					Assay Description Inhibition of rat lens aldose reductase				Bioorg Med Chem 16: 7470-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.004 BindingDB Entry DOI: 10.7270/Q2862HQJ
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50025321 (2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit 5-lipoxygenase in rat basophilic leukemia cells.				J Med Chem 29: 2256-62 (1986) BindingDB Entry DOI: 10.7270/Q2M907P5
					More data for this Ligand-Target Pair