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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314190   
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))
BDBM50314190
PNG
((+/-)-1-(4-(dimethylamino)piperidin-1-yl)-3-(5-(me...)
Show SMILES CN(C)C1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(c(SCCN3CCCCC3)c2)C(F)(F)F)CC1
Show InChI InChI=1/C31H47F3N6O3S2/c1-36(2)24-9-14-38(15-10-24)20-25(41)21-40-28-11-16-39(45(3,42)43)22-26(28)30(35-40)23-7-8-27(31(32,33)34)29(19-23)44-18-17-37-12-5-4-6-13-37/h7-8,19,24-25,41H,4-6,9-18,20-22H2,1-3H3
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Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair