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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50273177'   
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))
BDBM50273177
PNG
(2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phen...)
Show SMILES CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N
Show InChI InChI=1S/C22H27N5O/c1-27(16-18-10-6-3-7-11-18)21-19(15-25-20(14-23)26-21)22(28)24-13-12-17-8-4-2-5-9-17/h2,4-5,8-9,15,18H,3,6-7,10-13,16H2,1H3,(H,24,28)
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Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair