BDBM587258 CatS_426

SMILES C[C@H]1COCCN1CCCn1nc(c2CN(CCc12)C(=O)C(N)=O)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCCCNC(=O)OC(C)(C)C

InChI Key InChIKey=AHUZMMOGRYRUOA-VWLOTQADSA-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 = 587258   

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

LigandPNGBDBM587258(CatS_426)
Affinity DataIC50:  20nMAssay Description:D3R2028More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails D3R