BDBM55151 1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-ethanone::2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one::2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one::2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one::2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one::CHEMBL209453::MLS001212148::SMR000518041::cid_687937

SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1

InChI Key InChIKey=GYSSMOSVLZXNJL-UHFFFAOYSA-N

Data  12 IC50

  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 12 hits for monomerid = 55151   

TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.49E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of Hsp90 by recombinant ATPase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.67E+4nMAssay Description:Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetHistone deacetylase 8(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistone deacetylase 5(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistone deacetylase 9(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC9 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC3 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistone deacetylase 7(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM55151(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant HDAC7 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed