BDBM79851 2-Allylsulfanyl-4-(2-chloro-phenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-trifluoromethyl-1,4,5,6-tetrahydro-pyridine-3-carbonitrile::4-(2-chlorophenyl)-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-6-(prop-2-enylthio)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-2-hydroxy-6-prop-2-enylsulfanyl-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-2-oxidanyl-6-prop-2-enylsulfanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::6-(allylthio)-4-(2-chlorophenyl)-2-hydroxy-3-(2-thenoyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::MLS000563952::SMR000176896::cid_3130913

SMILES OC1(N=C(SCC=C)C(C#N)C(C1C(=O)c1cccs1)c1ccccc1Cl)C(F)(F)F

InChI Key InChIKey=BUCXZTZHAFAMEK-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 79851   

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

Curated by PubChem BioAssay
LigandPNGBDBM79851(2-Allylsulfanyl-4-(2-chloro-phenyl)-6-hydroxy-5-(t...)
Affinity DataIC50:  1.62E+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 DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79851(2-Allylsulfanyl-4-(2-chloro-phenyl)-6-hydroxy-5-(t...)
Affinity DataIC50:  405nMAssay 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 DepthDetails PCBioAssay