BDBM40947 2-(3-Cyano-6-ethyl-quinolin-2-ylsulfanyl)-N,N-diethyl-acetamide::2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N,N-diethyl-ethanamide::2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N,N-diethylacetamide::2-[(3-cyano-6-ethyl-2-quinolinyl)thio]-N,N-diethylacetamide::2-[(3-cyano-6-ethyl-2-quinolyl)thio]-N,N-diethyl-acetamide::MLS000031706::SMR000004800::cid_654548

SMILES CCN(CC)C(=O)CSc1nc2ccc(CC)cc2cc1C#N

InChI Key InChIKey=XUSQAHSCPIIXTC-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 40947   

TargetFocal adhesion kinase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40947(cid_654548 | 2-[(3-cyano-6-ethyl-2-quinolinyl)thio...)
Affinity DataIC50: 1.85E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetCathepsin S(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40947(cid_654548 | 2-[(3-cyano-6-ethyl-2-quinolinyl)thio...)
Affinity DataIC50: 5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40947(cid_654548 | 2-[(3-cyano-6-ethyl-2-quinolinyl)thio...)
Affinity DataIC50: 5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetProtein-tyrosine kinase 2-beta(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40947(cid_654548 | 2-[(3-cyano-6-ethyl-2-quinolinyl)thio...)
Affinity DataIC50: 6.95E+4nMAssay 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:
5/28/2011
Entry Details
PCBioAssay