BindingDB PrimarySearch

BDBM50121025 (E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-phenyl]-3-(3,4-dihydroxy-phenyl)-propenone::CHEMBL115452::broussochalcone::broussochalcone A::med.21724, Compound 177

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8])c2)c(-[#8])cc1-[#8]

InChI Key: InChIKey=FEALTYYKRMRXTG-QPJJXVBHSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50121025
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 glucosidase (Homo sapiens (Human))	BDBM50121025 ((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50121025 ((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guru Ghasidas Vishwavidyalaya (A Central University) Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 92: 839-65 (2015) Article DOI: 10.1016/j.ejmech.2015.01.051 BindingDB Entry DOI: 10.7270/Q2NZ899Z
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Homo sapiens (Human))	BDBM50121025 ((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate measured at every 1 mins up to 5 mins				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50121025 ((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM50121025 ((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.30E+9	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50121025 ((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description The inhibitory activity of the compound tested against human Protein-tyrosine phosphatase 1B enzyme				Bioorg Med Chem Lett 12: 3387-90 (2002) BindingDB Entry DOI: 10.7270/Q2HH6JF5
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50121025 ((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair