BindingDB PrimarySearch

BDBM50157555 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one::3',4'-dihydroxy flavone::3',4'-dihydroxyflavone::CHEMBL222556

SMILES: Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1

InChI Key: InChIKey=SRNPMQHYWVKBAV-UHFFFAOYSA-N

Data: 1 KI 13 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50157555
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
Lipoxygenase-1 (Glycine max (soybean))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 17: 1284-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.011 BindingDB Entry DOI: 10.7270/Q2BK1C0H
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine aminopeptidase (LAP) (Sus scrofa (Pig))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of pig kidney cytosolic Leucyl aminopeptidase				J Nat Prod 58: 823-829 (1995) Article DOI: 10.1021/np50120a001 BindingDB Entry DOI: 10.7270/Q2K937J6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human recombinant ARTD1 by fluorescence assay				J Med Chem 56: 3507-17 (2013) Article DOI: 10.1021/jm3018783 BindingDB Entry DOI: 10.7270/Q24M95W6
University of Oulu Curated by ChEMBL					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay				J Med Chem 56: 3507-17 (2013) Article DOI: 10.1021/jm3018783 BindingDB Entry DOI: 10.7270/Q24M95W6
University of Oulu Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Bioreactor Engineering Curated by ChEMBL					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay				J Med Chem 55: 8341-9 (2012) Article DOI: 10.1021/jm300630p BindingDB Entry DOI: 10.7270/Q2XP762X
					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) (Plasmodium falciparum)	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Bioreactor Engineering Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye redu...				J Med Chem 55: 8341-9 (2012) Article DOI: 10.1021/jm300630p BindingDB Entry DOI: 10.7270/Q2XP762X
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of alpha-chymotrypsin in bovine pancreas using SPpNA as substrate pretreated with enzyme for 30 mins followed by substrate addition and me...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of alpha-chymotrypsin in bovine pancreas using SPpNA as substrate pretreated with enzyme for 30 mins followed by substrate addition and me...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 2 (Homo sapiens)	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BU-Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human telomerase from HEK293 cell extracts by Flash-Plate assay				J Med Chem 47: 6466-75 (2004) Article DOI: 10.1021/jm040810b BindingDB Entry DOI: 10.7270/Q2P55N1R
BU-Nerviano Medical Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assa...				J Med Chem 56: 3507-17 (2013) Article DOI: 10.1021/jm3018783 BindingDB Entry DOI: 10.7270/Q24M95W6
University of Oulu Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)