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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50401800   
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))
BDBM50401800
PNG
(CHEMBL2207160)
Show SMILES Cc1cc(cs1)C(=O)N[C@@H](C1CCCCC1)c1cn(nn1)C1(CC1)C#N |r|
Show InChI InChI=1S/C19H23N5OS/c1-13-9-15(11-26-13)18(25)21-17(14-5-3-2-4-6-14)16-10-24(23-22-16)19(12-20)7-8-19/h9-11,14,17H,2-8H2,1H3,(H,21,25)/t17-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...


Bioorg Med Chem Lett 22: 7189-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.054
BindingDB Entry DOI: 10.7270/Q2R212JH
More data for this
Ligand-Target Pair