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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50169485   
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))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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Similars

Article
PubMed
n/an/a 3.70E+3n/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