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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50323268   
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))
BDBM50323268
PNG
(6-(4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl)...)
Show SMILES OCCCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)11-6-10(2-3-15(11)26-5-1-4-25)12-7-13-16(23-9-22-13)14(8-21)24-12/h2-3,6-7,9,25H,1,4-5H2,(H,22,23)
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Similars

Article
PubMed
n/an/a 63n/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