BDBM43247 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide::2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide::2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide::2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(5-methyl-3-isoxazolyl)acetamide::2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide::MLS000089197::SMR000072926::cid_1081542

SMILES Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1

InChI Key InChIKey=NUBDDNLQWTWUOY-UHFFFAOYSA-N

Data  1 IC50  5 EC50

  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 6 hits for monomerid = 43247   

TargetMajor prion protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43247(2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-...)
Affinity DataIC50: 7.14E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
LigandPNGBDBM43247(2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-...)
Affinity DataEC50:  8.14E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetGTPase KRas [1-37](Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43247(2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-...)
Affinity DataEC50:  8.92E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
LigandPNGBDBM43247(2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-...)
Affinity DataEC50:  9.54E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
LigandPNGBDBM43247(2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-...)
Affinity DataEC50:  1.29E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM43247(2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay