BDBM50134461 2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-chromen-4-one::CHEMBL124885::eupatorin-5-methylether

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

InChI Key: InChIKey=LYLDPYNWDVVPIQ-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50134461   

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))	BDBM50134461 (2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...) Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	630	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))	BDBM50134461 (2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...) Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	670	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
Tubulin (Sus scrofa (Pig))	BDBM50134461 (2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...) Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay				Bioorg Med Chem Lett 13: 3759-63 (2003) BindingDB Entry DOI: 10.7270/Q2G73D48
					More data for this Ligand-Target Pair