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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314151   
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))
BDBM50314151
PNG
(4-(3-(3-(3-(benzylthio)-4-chlorophenyl)-5-(methyls...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(SCc2ccccc2)c1
Show InChI InChI=1S/C27H33ClN4O3S2/c1-37(33,34)31-13-10-25-23(19-31)27(29-32(25)12-5-11-30-14-16-35-17-15-30)22-8-9-24(28)26(18-22)36-20-21-6-3-2-4-7-21/h2-4,6-9,18H,5,10-17,19-20H2,1H3
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Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair