BDBM96613 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-phenethyl-acetamide::2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2-phenylethyl)acetamide::2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)ethanamide::2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide::2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide::CHEMBL1722433::MLS000531589::SMR000136527::cid_892234

SMILES Cc1cc(=O)[nH]c(SCC(=O)NCCc2ccccc2)n1

InChI Key InChIKey=VEYSSDYQEFIFDX-UHFFFAOYSA-N

Data  11 IC50  2 EC50

  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 13 hits for monomerid = 96613   

TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
Affinity DataEC50:  5.94E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
Affinity DataIC50: 2.61E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetHistone deacetylase 9(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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 5(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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 1(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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
TargetHistone deacetylase 2(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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 8(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
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 6(Human)
Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM96613(CHEMBL1722433 | 2-[(6-methyl-4-oxo-1H-pyrimidin-2-...)
Affinity DataIC50: 1.00E+5nMAssay 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