BindingDB PrimarySearch

BDBM23418 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one::Hesperetin::Hesperitin

SMILES: COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1

InChI Key: InChIKey=AIONOLUJZLIMTK-AWEZNQCLSA-N

Data: 5 KI 12 IC50 1 Kd 1 Other

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 23418
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
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	3.30	-11.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...				Bioorg Med Chem 23: 7219-25 (2015) BindingDB Entry DOI: 10.7270/Q2862J84
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	102	-9.53	n/a	n/a	n/a	n/a	n/a	n/a	25
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...				Bioorg Med Chem 23: 7219-25 (2015) BindingDB Entry DOI: 10.7270/Q2862J84
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	454	-8.65	n/a	n/a	n/a	n/a	n/a	n/a	25
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...				Bioorg Med Chem 23: 7219-25 (2015) BindingDB Entry DOI: 10.7270/Q2862J84
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	n/a	25
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...				Bioorg Med Chem 23: 7219-25 (2015) BindingDB Entry DOI: 10.7270/Q2862J84
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	n/a	25
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...				Bioorg Med Chem 23: 7219-25 (2015) BindingDB Entry DOI: 10.7270/Q2862J84
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.48E+6	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry				Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.77E+6	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry				Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins ...				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of LSD1 (unknown origin) by fluorescence assay				Bioorg Med Chem 27: 370-374 (2019) Article DOI: 10.1016/j.bmc.2018.12.013
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay				Citation and Details Article DOI: 10.1007/s00044-012-0353-y BindingDB Entry DOI: 10.7270/Q29Z97T4
TBA					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Binding affinity to SARS coronavirus 3C-like protease by SPR analysis				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant SARS coronavirus 3C-like protease trans-cleavage activity by ELISA				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease cis-cleavage activity transfected in african green monkey Vero cells by luciferase reporter gene assa...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	511	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
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.79E+3	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 1A (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.46E+4	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
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.50E+11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry				Citation and Details Article DOI: 10.1007/s00044-011-9938-0 BindingDB Entry DOI: 10.7270/Q29W0JBG
TBA					More data for this Ligand-Target Pair
Alpha-amylase (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM23418 ((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.46E+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