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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162835   
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))
BDBM50162835
PNG
(1-(1-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O3/c1-20(41)38-16-13-26-25(19-38)29(21-7-9-22(10-8-21)31(32,33)34)35-39(26)18-24(42)17-37-14-11-23(12-15-37)40-28-6-4-3-5-27(28)36(2)30(40)43/h3-10,23-24,42H,11-19H2,1-2H3
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Similars

Article
PubMed
n/an/a 110n/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