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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314155   
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))
BDBM50314155
PNG
(4-(3-(5-(methylsulfonyl)-3-(3-(2-phenoxyethylthio)...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(c(SCCOc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N4O4S2/c1-42(37,38)35-13-10-26-24(21-35)28(33-36(26)12-5-11-34-14-16-39-17-15-34)22-8-9-25(29(30,31)32)27(20-22)41-19-18-40-23-6-3-2-4-7-23/h2-4,6-9,20H,5,10-19,21H2,1H3
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Article
PubMed
n/an/a 740n/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