BindingDB PrimarySearch

BDBM23408 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one::CHEMBL413552::Quercetagetin::Quercetagetin (24)

SMILES: Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O

InChI Key: InChIKey=ZVOLCUVKHLEPEV-UHFFFAOYSA-N

Data: 14 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 23408
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
Alpha-amylase (Homo sapiens (Human))	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	6.0	22
Nestle Research Center					Assay Description The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...				J Med Chem 51: 3555-61 (2008) Article DOI: 10.1021/jm800115x BindingDB Entry DOI: 10.7270/Q237771Z
Nestle Research Center					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.0	30
Loma Linda University					Assay Description The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...				Mol Cancer Ther 6: 163-72 (2007) Article DOI: 10.1158/1535-7163.MCT-06-0397 BindingDB Entry DOI: 10.7270/Q2N8783K
Loma Linda University					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University					Assay Description The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The...				Chem Biol Drug Des 85: 574-85 (2015) Article DOI: 10.1111/cbdd.12445 BindingDB Entry DOI: 10.7270/Q2M61J08
Konkuk University					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Loma Linda University School of Medicine Curated by ChEMBL					Assay Description Inhibition of PIM1 kinase				Bioorg Med Chem 15: 6463-73 (2007) Checked by Author Article DOI: 10.1016/j.bmc.2007.06.025 BindingDB Entry DOI: 10.7270/Q2C24W4S
Loma Linda University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 integrase by strand transfer method				J Med Chem 40: 920-9 (1997) Article DOI: 10.1021/jm960596u BindingDB Entry DOI: 10.7270/Q2S75H1Q
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli after 60 mins by ELISA				Bioorg Med Chem 27: 677-685 (2019) Article DOI: 10.1016/j.bmc.2019.01.027
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Synapsin-1 (Bos taurus)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of bovine brain synapsin-1 incubated for 1 hr by ATP-[gamma35S] binding assay				J Med Chem 59: 4121-51 (2016) BindingDB Entry DOI: 10.7270/Q2XD13MT
TU Dortmund University Curated by ChEMBL					More data for this Ligand-Target Pair
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human))	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS-Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method				Bioorg Med Chem Lett 21: 3939-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.022 BindingDB Entry DOI: 10.7270/Q2SF2WJX
UMR 7200 CNRS-Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method				J Med Chem 40: 920-9 (1997) Article DOI: 10.1021/jm960596u BindingDB Entry DOI: 10.7270/Q2S75H1Q
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing				J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer				J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...				Bioorg Med Chem Lett 19: 3019-22 (2009) Article DOI: 10.1016/j.bmcl.2009.04.061 BindingDB Entry DOI: 10.7270/Q21J99PJ
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)