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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50320055   
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))
BDBM50320055
PNG
(CHEMBL1085978 | ethyl 2-(4-(benzyloxy)-3-((S)-2-(5...)
Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(Br)ccc1NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H47BrN4O9/c1-5-49-30(42)20-38-34(46)31(43)29(22-48-21-24-14-10-7-11-15-24)40-33(45)28(18-23-12-8-6-9-13-23)39-32(44)26-19-25(37)16-17-27(26)41-35(47)50-36(2,3)4/h7,10-11,14-17,19,23,28-29H,5-6,8-9,12-13,18,20-22H2,1-4H3,(H,38,46)(H,39,44)(H,40,45)(H,41,47)/t28-,29?/m0/s1
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Similars

Article
PubMed
n/an/a 23.8n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assay


J Med Chem 53: 4545-9 (2010)


Article DOI: 10.1021/jm100089e
BindingDB Entry DOI: 10.7270/Q2TX3FJ2
More data for this
Ligand-Target Pair