BDBM50314236 CHEMBL1090996::rac-2-(5-(5-(methylsulfonyl)-1-(3-(4-(pyrrolidine-1-carbonyl)piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)-1-(pyrrolidin-1-yl)ethanone

SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)C(=O)N1CCCC1)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F

InChI Key InChIKey=ZGMTUAKIQZODBD-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50314236   

TargetCathepsin S(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50314236(CHEMBL1090996 | rac-2-(5-(5-(methylsulfonyl)-1-(3-...)
Affinity DataIC50:  280nMAssay Description:Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10li after 24 hrs by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50314236(CHEMBL1090996 | rac-2-(5-(5-(methylsulfonyl)-1-(3-...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human recombinant cathepsin S expressed in baculovirus expression sytem after 15 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed