BDBM66899 4-ethyl-5-methyl-2-thiophenecarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester::4-ethyl-5-methyl-thiophene-2-carboxylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester::MLS001080875::SMR000708258::[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate::[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-ethyl-5-methylthiophene-2-carboxylate::cid_7847536

SMILES CCc1cc(sc1C)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1

InChI Key InChIKey=PTGPLMZMHWFKRC-UHFFFAOYSA-N

Data  2 IC50  1 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 3 hits for monomerid = 66899   

TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66899(cid_7847536 | 4-ethyl-5-methyl-2-thiophenecarboxyl...)
Affinity DataIC50: 2.45E+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:
8/3/2011
Entry Details
PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66899(cid_7847536 | 4-ethyl-5-methyl-2-thiophenecarboxyl...)
Affinity DataIC50: 3.47E+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:
8/3/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM66899(cid_7847536 | 4-ethyl-5-methyl-2-thiophenecarboxyl...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay