BDBM79836 4-(2-Chloro-phenyl)-2-ethylsulfanyl-6-hydroxy-5-(thiophene-2-carbonyl)-6-trifluoromethyl-1,4,5,6-tetrahydro-pyridine-3-carbonitrile::4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-(2-thenoyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-6-ethylsulfanyl-2-hydroxy-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::MLS000563879::SMR000176683::cid_3128167

SMILES CCSC1=NC(O)(C(C(C1C#N)c1ccccc1Cl)C(=O)c1cccs1)C(F)(F)F

InChI Key InChIKey=FKSWTJGLQSNEBW-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 79836   

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

Curated by PubChem BioAssay
LigandPNGBDBM79836(4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-[oxo(...)
Affinity DataIC50: 174nMAssay 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
LigandPNGBDBM79836(4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-[oxo(...)
Affinity DataIC50: 878nMAssay 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