BDBM50076273 (2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-succinic acid::1-chicoricacid::CHEMBL282731::Cichoric acid (CHA)::HIV-1 Integrase Inhibitor::L-chicoric acid::cichoric acid

SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O

InChI Key InChIKey=YDDGKXBLOXEEMN-IABMMNSOSA-N

Data  3 KI  8 IC50  2 Kd

PDB links: 2 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 13 hits for monomerid = 50076273   

TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
Universidade Federal De Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataKi:  1.25E+4nMAssay Description:Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constant for enzyme-substrate complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
Universidade Federal De Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataKi:  6.83E+4nMAssay Description:Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [1-301](Homo sapiens (Human))
Washington College

LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataKi:  1.40E+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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  1.10E+3nMAssay Description:Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  2.49E+4nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Rhodes University

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  34nMAssay Description:Inhibition of HIV-1 subtype C integrase in presence of biotinylated DNA by colorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Rhodes University

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  200nMAssay Description:Inhibition of HIV1 integrase using U5A/U5B double-stranded DNA as substrate by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Rhodes University

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  1.55E+4nMAssay Description:Inhibition of HIV1 recombinant integrase expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
Universidade Federal De Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  3.79E+5nMAssay Description:Inhibition of recombinant Yersinia enterocolitica YopH assessed as reduction in conversion of pNPP to nitrophenol and inorganic phosphate using pNPP ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  800nMAssay Description:Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataIC50:  1.37E+4nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [1-301](Homo sapiens (Human))
Washington College

LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataKd:  1.60E+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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Affinity DataKd:  3.00E+3nMAssay Description:Kd value against HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed