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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50182101   
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))
BDBM50182101
PNG
(1-[4-(6-Chloro-2,2-dioxo-3,4-dihydro-2H-2lambda*6*...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccc(Cl)cc2CNS1(=O)=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H34ClF3N6O5S2/c1-45(41,42)37-13-10-27-25(18-37)28(19-2-4-21(5-3-19)29(31,32)33)35-38(27)17-24(40)16-36-11-8-23(9-12-36)39-26-7-6-22(30)14-20(26)15-34-46(39,43)44/h2-7,14,23-24,34,40H,8-13,15-18H2,1H3
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Article
PubMed
n/an/a 30n/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