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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 30895   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM30895 (2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-...) Show SMILES Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F Show InChI InChI=1S/C15H10F3N3OS/c1-9-3-4-13(22-9)12-7-11(15(16,17)18)10(8-20)14(21-12)23-6-2-5-19/h3-4,7H,2,6H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM30895 (2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-...) Show SMILES Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F Show InChI InChI=1S/C15H10F3N3OS/c1-9-3-4-13(22-9)12-7-11(15(16,17)18)10(8-20)14(21-12)23-6-2-5-19/h3-4,7H,2,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM30895 (2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-...) Show SMILES Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F Show InChI InChI=1S/C15H10F3N3OS/c1-9-3-4-13(22-9)12-7-11(15(16,17)18)10(8-20)14(21-12)23-6-2-5-19/h3-4,7H,2,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair