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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162832   
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))
BDBM50162832
PNG
(6-Chloro-1-(1-{2-hydroxy-3-[5-methanesulfonyl-3-(4...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2cc(Cl)ccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H32ClF3N6O4S/c1-44(42,43)37-13-10-25-23(17-37)27(18-2-4-19(5-3-18)29(31,32)33)35-38(25)16-22(40)15-36-11-8-21(9-12-36)39-26-14-20(30)6-7-24(26)34-28(39)41/h2-7,14,21-22,40H,8-13,15-17H2,1H3,(H,34,41)
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Similars

Article
PubMed
n/an/a 60n/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