BDBM39436 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide::2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide::2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide::MLS000069324::SMR000036715::cid_612806

SMILES CCc1nnc(NC(=O)CSc2nc(C)c3CCCCc3c2C#N)s1

InChI Key InChIKey=QOOFVDQZWNNHIO-UHFFFAOYSA-N

Data  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 39436   

TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39436(SMR000036715 | cid_612806 | 2-[(4-cyano-1-methyl-5...)
Affinity DataEC50:  1.69E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39436(SMR000036715 | cid_612806 | 2-[(4-cyano-1-methyl-5...)
Affinity DataEC50:  1.23E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM39436(SMR000036715 | cid_612806 | 2-[(4-cyano-1-methyl-5...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay