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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50255351   
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))
BDBM50255351
PNG
(3-Chloro-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C23H32ClN3O6S/c1-4-19-20(18(28)13-33-19)26-22(30)17(12-23(2)9-5-6-10-23)25-21(29)14-7-8-16(15(24)11-14)27-34(3,31)32/h7-8,11,17,19-20,27H,4-6,9-10,12-13H2,1-3H3,(H,25,29)(H,26,30)/t17-,19-,20+/m0/s1
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Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair