BDBM40586 2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]propionic acid::2-[(2-ethyl-1-oxidanylidene-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]propanoic acid::2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]propanoic acid::2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]propanoic acid::MLS000069143::SMR000038886::cid_658014

SMILES CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O

InChI Key InChIKey=BWDMSMJXEZXAPE-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 40586   

TargetNuclear receptor subfamily 4 group A member 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40586(2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataIC50: 7.65E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40586(2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataIC50: 1.69E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40586(2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataIC50: 2.18E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40586(2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataIC50: 1.68E+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:
7/9/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40586(2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataIC50: 9.01E+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:
7/9/2011
Entry Details
PCBioAssay