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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50255410   
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))
BDBM50255410
PNG
(CHEMBL519763 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)nc1
Show InChI InChI=1/C22H32N4O6S/c1-4-17-19(16(27)13-32-17)25-21(29)15(11-22(2)9-5-6-10-22)24-20(28)14-7-8-18(23-12-14)26-33(3,30)31/h7-8,12,15,17,19H,4-6,9-11,13H2,1-3H3,(H,23,26)(H,24,28)(H,25,29)/t15-,17-,19+/s2
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Similars

Article
PubMed
63n/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