BindingDB PrimarySearch

BDBM50084978 3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one::CHEMBL40919::Kaempferide::Kaempferol 4'-methyl ether

SMILES: COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O

InChI Key: InChIKey=SQFSKOYWJBQGKQ-UHFFFAOYSA-N

Data: 12 IC50 3 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50084978
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB MMDB NCI pathway 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	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	n/a	37
Eberhard Karls University of Tuebingen					Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...				Chembiochem 11: 2579-88 (2010) Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT
Eberhard Karls University of Tuebingen					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and bio...				Bioorg Med Chem 28: (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Département de Pharmacochimie Moléculaire UMR-CNRS 5063 Curated by ChEMBL					Assay Description Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein				Bioorg Med Chem Lett 11: 75-7 (2001) BindingDB Entry DOI: 10.7270/Q2T43SC1
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase				Bioorg Med Chem 17: 6048-53 (2009) Article DOI: 10.1016/j.bmc.2009.06.057 BindingDB Entry DOI: 10.7270/Q20G3K7R
Kyoto Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	509	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by EROD assay				Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D
University of Shizuoka Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	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	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of human CYP1A1 by EROD assay				Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D
University of Shizuoka Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	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	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 by EROD assay				Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D
University of Shizuoka Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard-Lyon 1 Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein				Bioorg Med Chem Lett 10: 157-60 (2000) BindingDB Entry DOI: 10.7270/Q2DR2W1W
Universit£ Claude Bernard-Lyon 1 Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	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	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of CYP1A1				Bioorg Med Chem 15: 5047-60 (2007) Article DOI: 10.1016/j.bmc.2007.05.046 BindingDB Entry DOI: 10.7270/Q20R9Q7F
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem 15: 5047-60 (2007) Article DOI: 10.1016/j.bmc.2007.05.046 BindingDB Entry DOI: 10.7270/Q20R9Q7F
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of CYP1B1				Bioorg Med Chem 15: 5047-60 (2007) Article DOI: 10.1016/j.bmc.2007.05.046 BindingDB Entry DOI: 10.7270/Q20R9Q7F
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Binding affinity to ABCB1 nucleotide binding domain 2				Eur J Med Chem 46: 4078-88 (2011) Article DOI: 10.1016/j.ejmech.2011.06.008 BindingDB Entry DOI: 10.7270/Q2FJ2J3W
Chosun University Curated by ChEMBL					More data for this Ligand-Target Pair
DNA Gyrase (Escherichia coli (strain K12))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars		n/a	n/a	>1.66E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro antibacterial activity was determined as inhibitory concentration causing 50% DNA-gyrase supercoiling inhibition (SCI)				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7CM7
TBA					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...				Bioorg Med Chem Lett 29: 839-843 (2019) Article DOI: 10.1016/j.bmcl.2019.01.016
Sunchon National University Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50084978 (3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.25E+4	n/a	n/a	n/a	n/a	n/a	37
Eberhard Karls University of Tuebingen					Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...				Chembiochem 11: 2579-88 (2010) Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT
Eberhard Karls University of Tuebingen					More data for this Ligand-Target Pair