BDBM586502 CatS_18

SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-c1cc(ccc1C(F)(F)F)-c1nn(-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2-[#6]-[#6]-[#7](-[#6]-c12)-[#6](=O)-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]

InChI Key InChIKey=UFFIKNVKPBZTSB-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 586502   

TargetCathepsin S(Human)
D3R/Abbott

LigandPNGBDBM586502(CatS_18)
Affinity DataIC50: 170nMAssay Description:D3R2020More data for this Ligand-Target Pair
In DepthDetails
D3R