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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50252597   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50252597
PNG
(6-(4-chlorobenzyl)-7-(2-(piperidin-1-yl)ethyl)-7H-...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCN2CCCCC2)C#N)cc1
Show InChI InChI=1S/C21H22ClN5/c22-18-6-4-16(5-7-18)12-19-13-17-15-24-20(14-23)25-21(17)27(19)11-10-26-8-2-1-3-9-26/h4-7,13,15H,1-3,8-12H2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair