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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50321620   
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))
BDBM50321620
PNG
(CHEMBL1171313 | N-(2-chloro-5-(6-oxo-1-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCn2nc(ccc2=O)-c2ccc(Cl)c(CNC(=O)c3ccccc3)c2)CC1
Show InChI InChI=1S/C32H31ClF3N5O2/c33-28-11-10-24(20-25(28)22-37-31(43)23-6-2-1-3-7-23)29-12-13-30(42)41(38-29)15-5-14-39-16-18-40(19-17-39)27-9-4-8-26(21-27)32(34,35)36/h1-4,6-13,20-21H,5,14-19,22H2,(H,37,43)
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Similars

Article
PubMed
n/an/a 1.60E+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