BDBM50343049 (1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid methyl ester::CHEMBL416955::chlorogenic acid methyl ester::methyl chlorogenate

SMILES COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key InChIKey=MZNIJRAPCCELQX-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50343049   

TargetRibonuclease HI(Escherichia coli (strain K12))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50343049((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of Escherichia coli recombinant ribonuclease H after 30 mins by FRET quenching assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRibonuclease HI(Escherichia coli (strain K12))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50343049((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of Escherichia coli recombinant ribonuclease H after 30 mins by FRET quenching assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50343049((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Affinity DataIC50: 6.42E+4nMAssay Description:Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50343049((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Affinity DataIC50: 5.88E+4nMAssay Description:Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmyloid-beta precursor protein(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50343049((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Affinity DataIC50: 1.00E+5nMAssay 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 Article
PubMed