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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50182118'   
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))
BDBM50182118
PNG
(4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2ccccc12)-c1ccc(Br)cc1
Show InChI InChI=1/C29H34BrN5O5S/c1-41(38,39)33-15-12-25-24(18-33)29(20-6-8-21(30)9-7-20)31-34(25)17-23(36)16-32-13-10-22(11-14-32)35-26-4-2-3-5-27(26)40-19-28(35)37/h2-9,22-23,36H,10-19H2,1H3
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Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


Bioorg Med Chem Lett 16: 2209-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.038
BindingDB Entry DOI: 10.7270/Q2K35T7W
More data for this
Ligand-Target Pair