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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50221222   
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))
BDBM50221222
PNG
(1-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-te...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccc(Cl)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H33BrClN5O3S/c1-40(38,39)35-13-10-28-26(18-35)29(20-2-4-21(30)5-3-20)33-36(28)17-23(37)16-34-11-8-19(9-12-34)25-15-32-27-7-6-22(31)14-24(25)27/h2-7,14-15,19,23,32,37H,8-13,16-18H2,1H3
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Article
PubMed
n/an/a 54n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair