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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314157   
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))
BDBM50314157
PNG
(1-(1-(3-(3-(3-(2-hydroxyethylthio)-4-(trifluoromet...)
Show SMILES CS(=O)(=O)C1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCO)c1)C(F)(F)F
Show InChI InChI=1S/C29H39F3N4O4S2/c1-42(39,40)22-6-8-25-23(19-22)28(20-5-7-24(29(30,31)32)26(18-20)41-17-16-37)33-36(25)13-3-11-34-14-9-21(10-15-34)35-12-2-4-27(35)38/h5,7,18,21-22,37H,2-4,6,8-17,19H2,1H3
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Article
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n/an/a 200n/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