BDBM50327036 (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::(1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::(1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid::3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid::5-O-caffeoylquinic acid::5-caffeoyl quinic acid::CHEMBL284616::Caffeoylquinic acid::Chlorogenic acid (CGA)::Chlorogenicacid::NSC-407296::US11866416, Example 10::chlorogenic acid

SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O

InChI Key InChIKey=CWVRJTMFETXNAD-UHFFFAOYSA-N

Data  3 KI  20 IC50  1 Kd

  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 24 hits for monomerid = 50327036   

TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 4.58E+4nMAssay Description:Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transferMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetSortase family protein(Staphylococcus aureus)
Indian Institute of Technology Delhi

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 9.56E+4nMAssay Description:Inhibition of Staphylococcus aureus SrtA using EDANS-Dabcyl as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetBiofilm regulatory protein A(Streptococcus mutans serotype c (strain ATCC 70061...)
Uab Research Foundation

US Patent
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 5.18E+5nMAssay Description:A previously reported zymographic assay was utilized for the investigation of Gtf enzymatic activity, as described in Example 1. A 1:100 in fresh 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
Go to US Patent

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 100nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 9.29E+4nMAssay Description:Inhibition of human amyloid beta (1 to 42) aggregation after 24 hrs by thioflavin-T fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 3.75E+5nMAssay Description:Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 7.79E+4nMAssay Description:Inhibition of TCPTP (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 1.11E+4nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Rat)
Korean Institute of Oriental Medicine (Kiom)

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 950nMAssay Description:Inhibition of Sprague-Dawley rat lens aldose reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 8.78E+4nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 8.78E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 300nMAssay Description:Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
Target1,3-beta-D-glucan synthase catalytic subunit(Yeast)
Inner Mongolia University

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 9.00E+4nMAssay Description:Inhibition of Candida albicans 1,3 beta-D-glucan synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of HDAC in human HeLa cells using Boc-Lys(AC)-AMC as substrate after 24 to 48 hrs by spectrofluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2017
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of HDAC in human HeLa nuclear extract using fluor de lys as substrate after 10 to 15 mins by spectrofluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2017
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B10(Human)
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 3.13E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 5.82E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataIC50: 4.58E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataKd:  1.50E+6nMAssay Description:NMR chemical shift perturbations of PTP1B resonances due to binding of CHA and CGA were monitored by acquiring a series of 1H−15N TROSY spectra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2017
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataKi:  135nMAssay Description:Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataKi:  1.51E+4nMAssay Description:Non-competitive inhibition of PTP1B (unknown origin) using p-NPP as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
LigandPNGBDBM50327036(Chlorogenic acid (CGA) | (1R,3S,4S,5S)-3-[(E)-3-(3...)
Affinity DataKi:  8.20E+6nMAssay Description:Steady-state kinetic parameters were measured for PTP1B using p-nitrophenyl phosphate (pNPP, 0.5−40 mM) as the substrate in NMR buffer. The rat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2017
Entry Details Article
PubMed