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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50255500   
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))
BDBM50255500
PNG
(CHEMBL475269 | 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(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C29H37N3O7S/c1-4-25-26(24(33)18-39-25)31-28(35)23(17-29(2)15-5-6-16-29)30-27(34)19-7-9-20(10-8-19)32-40(36,37)22-13-11-21(38-3)12-14-22/h7-14,23,25-26,32H,4-6,15-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/m0/s1
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Similars

Article
PubMed
3.30n/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