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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50255682'   
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))
BDBM50255682
PNG
(4-(2-Chloro-pyridine-3-sulfonylamino)-N-[1-(2S-eth...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
Show InChI InChI=1/C27H33ClN4O6S/c1-3-21-23(20(33)16-38-21)31-26(35)19(15-27(2)12-4-5-13-27)30-25(34)17-8-10-18(11-9-17)32-39(36,37)22-7-6-14-29-24(22)28/h6-11,14,19,21,23,32H,3-5,12-13,15-16H2,1-2H3,(H,30,34)(H,31,35)/t19-,21-,23+/s2
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Similars

Article
PubMed
5.90n/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