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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50255951'   
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))
BDBM50255951
PNG
(CHEMBL519633 | 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)C(F)(F)F)cc1
Show InChI InChI=1/C23H30F3N3O6S/c1-3-18-19(17(30)13-35-18)28-21(32)16(12-22(2)10-4-5-11-22)27-20(31)14-6-8-15(9-7-14)29-36(33,34)23(24,25)26/h6-9,16,18-19,29H,3-5,10-13H2,1-2H3,(H,27,31)(H,28,32)/t16-,18-,19+/s2
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Similars

Article
PubMed
8.30n/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