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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314187   
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))
BDBM50314187
PNG
((+/-)-1-(4-methylpiperazin-1-yl)-3-(5-(methylsulfo...)
Show SMILES CN1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(c(SCCN3CCCCC3)c2)C(F)(F)F)CC1
Show InChI InChI=1/C29H43F3N6O3S2/c1-34-12-14-36(15-13-34)19-23(39)20-38-26-8-11-37(43(2,40)41)21-24(26)28(33-38)22-6-7-25(29(30,31)32)27(18-22)42-17-16-35-9-4-3-5-10-35/h6-7,18,23,39H,3-5,8-17,19-21H2,1-2H3
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Article
PubMed
n/an/a 1.15E+3n/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