BDBM30895 2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile::2-(2-cyanoethylthio)-6-(5-methyl-2-furanyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile::2-(2-cyanoethylthio)-6-(5-methyl-2-furyl)-4-(trifluoromethyl)nicotinonitrile::2-[(2-cyanoethyl)thio]-6-(5-methyl-2-furyl)-4-(trifluoromethyl)nicotinonitrile::MLS000050673::SMR000078131::cid_2216841

SMILES Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F

InChI Key InChIKey=JTFCSNCDIGQZMX-UHFFFAOYSA-N

Data  3 EC50

  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 3 hits for monomerid = 30895   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30895(2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-...)
Affinity DataEC50:  9.90E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30895(2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-...)
Affinity DataEC50: >8.52E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-7(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30895(2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-...)
Affinity DataEC50: >8.52E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay