BDBM586945 CatS_113

SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@H](O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F

InChI Key InChIKey=MFMXKVFQIQVHAN-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 586945   

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

LigandPNGBDBM586945(CatS_113)
Affinity DataIC50: 15nMAssay Description:D3R2028More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2023
Entry Details
D3R