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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50152527   
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))
BDBM50152527
PNG
((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...)
Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 uM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay


Bioorg Med Chem Lett 14: 4897-902 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.031
BindingDB Entry DOI: 10.7270/Q26W99JR
More data for this
Ligand-Target Pair