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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50169482   
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))
BDBM50169482
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C26H31F3N6O5/c1-5-6-7-17(21(36)22(37)32-19-12-13-30-33-19)31-24(38)39-18(25(2,3)4)14-20-34-35-23(40-20)15-8-10-16(11-9-15)26(27,28)29/h8-13,17-18H,5-7,14H2,1-4H3,(H,31,38)(H2,30,32,33,37)/t17-,18+/m0/s1
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Article
PubMed
n/an/a 520n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair