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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50182114'   
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))
BDBM50182114
PNG
(4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1C(=O)COc2ccc(Cl)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H33BrClN5O4S/c1-41(38,39)34-16-11-25-24(18-34)29(20-3-5-21(30)6-4-20)32-35(25)13-2-12-33-14-9-23(10-15-33)36-26-17-22(31)7-8-27(26)40-19-28(36)37/h3-8,17,23H,2,9-16,18-19H2,1H3
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Similars

Article
PubMed
n/an/a 130n/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