BDBM50056908 (1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,5-dihydroxy-cyclohexanecarboxylic acid::(1R,3R,4S,5R)-3,4-bis(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,5-dihydroxycyclohexanecarboxylic acid::3,4-di-O-caffeoylquinicacid::4,5-di-O-caffeoylquinic acid::CHEMBL177126::NSC-649410

SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O

InChI Key InChIKey=UFCLZKMFXSILNL-UHFFFAOYSA-N

Data  16 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50056908   

TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 700nMAssay 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)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 1.30E+3nMAssay 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
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 600nMAssay 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
TargetIntegrase(Human immunodeficiency virus 2)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 500nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-2 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 700nMAssay 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 2)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 500nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-2 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 250nMAssay 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)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 250nMAssay 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)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 460nMAssay 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
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 460nMAssay 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
TargetAldo-keto reductase family 1 member B1(Rat)
Korean Institute of Oriental Medicine (Kiom)

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 2.30E+3nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 5.94E+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
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 7.32E+4nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 7.94E+4nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of HIV1 recombinant integrase expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50056908(3,4-di-O-caffeoylquinicacid | (1R,3R,4S,5R)-3,4-bi...)
Affinity DataIC50: 100nMAssay 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