BDBM41100 2-[cyano-[4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]amino]propanedioic acid diethyl ester::2-[cyano-[4-(dimethylamino)-6-(methylthio)-s-triazin-2-yl]amino]malonic acid diethyl ester::MLS000080173::SMR000039053::cid_658152::diethyl 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanedioate

SMILES CCOC(=O)C(N(C#N)c1nc(SC)nc(n1)N(C)C)C(=O)OCC

InChI Key InChIKey=XWNVIHWUNDNBSG-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 41100   

TargetCathepsin B(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41100(diethyl 2-[cyano-[4-(dimethylamino)-6-methylsulfan...)
Affinity DataIC50: 1.97E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41100(diethyl 2-[cyano-[4-(dimethylamino)-6-methylsulfan...)
Affinity DataIC50: 2.82E+3nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41100(diethyl 2-[cyano-[4-(dimethylamino)-6-methylsulfan...)
Affinity DataIC50: 2.06E+3nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay