BDBM587246 CatS_414

SMILES CNCCCNC(=O)c1cc(ccc1Cl)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCSCC2)c2CCN(Cc12)C(=O)C(N)=O

InChI Key InChIKey=QNDQSSPRNJZYGQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 587246   

TargetCathepsin S [115-331,C139S](Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM587246(CatS_414)
Affinity DataIC50:  20nMAssay Description:D3R2028More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed