BDBM50042949 (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one (21)::(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one::(E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone::3,4,2',4'-tetrahydroxychalone::3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone::Butein::CHEMBL128000

SMILES c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O

InChI Key InChIKey=AYMYWHCQALZEGT-UHFFFAOYSA-N

Data  3 KI  19 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50042949   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Rat)
Tokushima Bunri University

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 4.60nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of PI3Kalpha (unknown origin) by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 450nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article

Target17-beta-hydroxysteroid dehydrogenase type 2(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1/2(Human)
Tokushima Bunri University

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 1.20E+5nMAssay Description:Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was determined 100 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Institute For Biochemistry

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataKd:  1.00E+5nMAssay Description:Binding affinity to CDK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Institute For Biochemistry

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 6.50E+4nMAssay Description:Inhibition of p60 c-SrcMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Institute For Biochemistry

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibitory activity against HIV-1 Integrase (HIV-1-IN)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rat)
Tokushima Bunri University

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of 5-lipoxygenase in rat RBL1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article

TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
National Institute of Immunology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Escherichia coli ENRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 1.25E+4nMAssay Description:Inhibition of Plasmodium falciparum ENRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 2.00E+4nMAssay Description:Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
India Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 7.30E+5nMAssay Description:Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
India Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 730nMAssay Description:Inhibition of ACE in rabbit lung assessed as decrease in dansylglycine concentration after 5 mins by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetXanthine dehydrogenase/oxidase(Bovine)
Northern Kentucky University

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2017
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Institute For Biochemistry

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 6.50E+4nMAssay Description:Inhibition of c-SrcMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Institute For Biochemistry

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
India Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 7.30E+8nMAssay Description:Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2015
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataIC50: 2.37E+3nMpH: 4.5 T: 2°CAssay Description:The assay based on fluorescenceresonance energy transfer was carried out with BACE1 enzyme at pH 4.5 with a substrate, H-Lys(DABSYL)-SEVNLDAEFR-Gin-(...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2017
Entry Details Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataKi:  14nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of triclosanMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataKi:  2.97E+3nMAssay Description:Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL
LigandPNGBDBM50042949((E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phen...)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of Plasmodium falciparum ENR using NADH substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed