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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50323084   
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))
BDBM50323084
PNG
(4-(4-fluoro-3-(trifluoromethyl)phenyl)-6-propylpyr...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F4N3/c1-2-3-10-7-13(22-14(8-20)21-10)9-4-5-12(16)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair