BDBM23417 α-CA inhibitor, 4::(-)-Epicatechin::(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol::Epicatechin::L-Epicatechin::cid_72276

SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1

InChI Key InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N

Data  7 KI  22 IC50  2 Kd  3 EC50  1 Other

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 23417   

TargetArginase(Leishmania amazonensis)
Universidade Federal De S£O Carlos

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKi:  200nMAssay Description:Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ege University

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKi:  1.24E+3nMpH: 7.4Assay Description:CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ege University

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKi:  2.32E+3nMpH: 7.4Assay Description:CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Ege University

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKi:  3.98E+3nMpH: 7.4Assay Description:CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ege University

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKi:  4.36E+3nMpH: 7.4Assay Description:CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ege University

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKi:  8.93E+3nMpH: 7.4Assay Description:CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))TBA
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of NLWAAQRYGRELRRMSD-K(FITC)-FVD from Bcl-2 (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
TargetIntestinal-type alkaline phosphatase 1(Rattus norvegicus (Rat))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  1.36E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Eberhard Karls University Of Tuebingen

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  6.76E+4nMT: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 10(Homo sapiens (Human))
Eberhard Karls University Of Tuebingen

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  8.95E+4nMT: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Lodz

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKd:  5.19E+6nMAssay Description:Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Lodz

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  1.50E+5nMAssay Description:Inhibition of human thrombin amidolytic activity using D-Phe-Pip-Arg-pNA as substrate preincubated for 10 mins followed by substrate addition measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Pennsylvania School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataKd:  2.59E+4nMAssay Description:Binding affinity to COX1 in sheep seminal vesicleMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Pennsylvania School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  1.22E+4nMAssay Description:Inhibition of cyclooxygenase activity of COX1 in sheep seminal vesicle in presence of 1 mM phenol by cyclooxygenase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
University Of Toledo

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target6-phosphogluconate dehydrogenase, decarboxylating(Homo sapiens (Human))
Amorepacific

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of 6PGDMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Saccharomyces cerevisiae S288c)
Amorepacific

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of yeast G6PDMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid synthase(Homo sapiens (Human))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of FASMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSucrase-isomaltase, intestinal(Rattus norvegicus (Rat))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  6.50E+5nMAssay Description:Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArginase(Leishmania amazonensis)
Universidade Federal De S£O Carlos

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of aldose reductase in rat lens homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA polymerase beta(Rattus norvegicus)
University Of Virginia

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  1.85E+4nMAssay Description:Inhibition of lyase activity of rat DNA polymerase beta after 30 mins by deoxyribose phosphate excision assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Pennsylvania School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of peroxidase activity of COX1 in heep seminal vesicle by TMPD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
University Of Antwerp

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAnthrax toxin receptor 2(Homo sapiens)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >3.00E+5nMAssay Description:Inhibition of CMG2 (40 to 217) C175A and R40C double mutant (unknown origin) interaction to full length PA E733C mutant expressed in Escherichia coli...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  2.99E+4nMAssay Description:Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  800nMAssay Description:Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  407nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAlkaline phosphatase, germ cell type(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataEC50:  5.13E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataEC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50: >5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum 3D7)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  1.38E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPyruvate kinase PKM(Homo sapiens (Human))
Central University Of Punjab

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataIC50:  1.33E+3nMAssay Description:Inhibition of recombinant PKM2 (unknown origin) Asp177, Ser77, Gly52, Gly128 residuesMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DataEC50:  2nMAssay Description:Activation of eNOS in BCAEC assessed as increase in nitric oxide level after 10 mins by fluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-amylase 1A(Homo sapiens (Human))
Nestle Research Center

LigandPNGBDBM23417(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Affinity DatapH: 6.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed