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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50121038   
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))
BDBM50121038
PNG
(CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...)
Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1
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Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC


Bioorg Med Chem Lett 12: 3417-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00766-7
BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair