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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50249446'   
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))
BDBM50249446
PNG
(5-amino-4-(isobutylamino)-6-(piperazin-1-yl)pyrimi...)
Show SMILES CC(C)CNc1nc(nc(N2CCNCC2)c1N)C#N
Show InChI InChI=1S/C13H21N7/c1-9(2)8-17-12-11(15)13(19-10(7-14)18-12)20-5-3-16-4-6-20/h9,16H,3-6,8,15H2,1-2H3,(H,17,18,19)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S (unknown origin)


Bioorg Med Chem Lett 19: 1658-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.110
BindingDB Entry DOI: 10.7270/Q2571BWR
More data for this
Ligand-Target Pair