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-RVXRWRFUSA-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 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
University Of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 2)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Affinity DataIC50:  500nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-2 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 2)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Affinity DataIC50:  500nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-2 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Affinity DataIC50:  250nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Affinity DataIC50:  250nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Korean Institute Of Oriental Medicine (Kiom)

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of Sprague-Dawley rat lens aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Affinity DataIC50:  5.94E+4nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Korea Institute Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Affinity DataIC50:  1.04E+4nMAssay Description:Inhibition of HIV1 recombinant integrase expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056908((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
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 DepthDetails ArticlePubMed