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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50162836'   
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))
BDBM50162836
PNG
(1-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,...)
Show SMILES Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Br)cc3)CC2)c1=O
Show InChI InChI=1S/C29H35BrN6O3S/c1-32-26-6-3-4-7-27(26)36(29(32)37)23-12-17-33(18-13-23)15-5-16-35-25-14-19-34(40(2,38)39)20-24(25)28(31-35)21-8-10-22(30)11-9-21/h3-4,6-11,23H,5,12-20H2,1-2H3
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Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair