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Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50323260   
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))
BDBM50323260
PNG
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-methyl-1H...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O/c1-3-25-15-5-4-10(6-11(15)17(18,19)20)12-7-14-16(13(8-21)23-12)22-9-24(14)2/h4-7,9H,3H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair