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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50323266   
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))
BDBM50323266
PNG
(6-(4-(ethylamino)-3-(trifluoromethyl)phenyl)-1H-im...)
Show SMILES CCNc1ccc(cc1C(F)(F)F)-c1cc2[nH]cnc2c(n1)C#N
Show InChI InChI=1S/C16H12F3N5/c1-2-21-11-4-3-9(5-10(11)16(17,18)19)12-6-13-15(23-8-22-13)14(7-20)24-12/h3-6,8,21H,2H2,1H3,(H,22,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 105n/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