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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314179   
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))
BDBM50314179
PNG
(CHEMBL1089277 | rac-4-fluoro-N-(2-(5-(1-(2-hydroxy...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)c2ccc(F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C35H42F4N6O5S2/c1-52(49,50)43-17-12-30-28(22-43)33(41-45(30)21-27(46)20-42-15-10-26(11-16-42)44-14-2-3-32(44)47)24-6-9-29(35(37,38)39)31(19-24)51-18-13-40-34(48)23-4-7-25(36)8-5-23/h4-9,19,26-27,46H,2-3,10-18,20-22H2,1H3,(H,40,48)
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Article
PubMed
n/an/a 360n/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