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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50186687   
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))
BDBM50186687
PNG
(CHEMBL207403 | Cbz-Ile-Leu-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C31H50N4O7S/c1-9-22(6)27(35-31(39)42-19-24-13-11-10-12-14-24)30(38)34-26(18-21(4)5)29(37)32-23(7)28(36)33-25(17-20(2)3)15-16-43(8,40)41/h10-16,20-23,25-27H,9,17-19H2,1-8H3,(H,32,37)(H,33,36)(H,34,38)(H,35,39)/t22-,23-,25+,26-,27-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair