BDBM80297 5-(2-cyanoethyl)-2-mercapto-4,6-dimethylnicotinonitrile::5-(2-cyanoethyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile::5-(2-cyanoethyl)-4,6-dimethyl-2-thioxo-1H-pyridine-3-carbonitrile::MLS000861191::SMR000459975::cid_2726113

SMILES Cc1[nH]c(=S)c(C#N)c(C)c1CCC#N

InChI Key InChIKey=BVAKKXVQFBBQNU-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 = 80297   

TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80297(5-(2-cyanoethyl)-2-mercapto-4,6-dimethylnicotinoni...)
Affinity DataIC50: 9.70E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80297(5-(2-cyanoethyl)-2-mercapto-4,6-dimethylnicotinoni...)
Affinity DataIC50: 1.00E+5nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay