BDBM50314234 CHEMBL1090998::rac-2-(5-(1-(3-(4-(2-fluorophenyl)piperidin-1-yl)-2-hydroxypropyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)-1-morpholinoethanone

SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccc1F)-c1ccc(c(SCC(=O)N2CCOCC2)c1)C(F)(F)F

InChI Key InChIKey=LKZUMSQGOOWFGY-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314234   

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

Curated by ChEMBL
LigandPNGBDBM50314234(CHEMBL1090998 | rac-2-(5-(1-(3-(4-(2-fluorophenyl)...)
Affinity DataIC50:  3.13E+3nMAssay 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
LigandPNGBDBM50314234(CHEMBL1090998 | rac-2-(5-(1-(3-(4-(2-fluorophenyl)...)
Affinity DataIC50:  10nMAssay 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