BDBM50314251 CHEMBL1091334::rac-2-(5-(5-acetyl-1-(2-hydroxy-3-(4-(2-hydroxypropan-2-yl)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 CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)C(C)(C)O)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F

InChI Key InChIKey=QMRXULKWYQUBRF-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 = 50314251   

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

Curated by ChEMBL
LigandPNGBDBM50314251(rac-2-(5-(5-acetyl-1-(2-hydroxy-3-(4-(2-hydroxypro...)
Affinity DataIC50: 150nMAssay 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 Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCathepsin S(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50314251(rac-2-(5-(5-acetyl-1-(2-hydroxy-3-(4-(2-hydroxypro...)
Affinity DataIC50: 110nMAssay 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 Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed