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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50252544'   
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))
BDBM50252544
PNG
(6-(4-chlorobenzyl)-7-(2-cycloheptylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25ClN4/c24-20-9-7-18(8-10-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-11-17-5-3-1-2-4-6-17/h7-10,14,16-17H,1-6,11-13H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 33n/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