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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50321621   
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))
BDBM50321621
PNG
(CHEMBL1171608 | N-(2-chloro-5-(6-oxo-1-(3-(4-(2-ox...)
Show SMILES Clc1ccc(cc1CNC(=O)c1ccccc1)-c1ccc(=O)n(CCCN2CCC(CC2)N2CCCC2=O)n1
Show InChI InChI=1S/C30H34ClN5O3/c31-26-10-9-23(20-24(26)21-32-30(39)22-6-2-1-3-7-22)27-11-12-29(38)36(33-27)17-5-15-34-18-13-25(14-19-34)35-16-4-8-28(35)37/h1-3,6-7,9-12,20,25H,4-5,8,13-19,21H2,(H,32,39)
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Similars

Article
PubMed
n/an/a 2.30E+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: 4060-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q
More data for this
Ligand-Target Pair