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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50313473   
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))
BDBM50313473
PNG
(4-cycloheptyl-6-propylpyrimidine-2-carbonitrile | ...)
Show SMILES CCCc1cc(nc(n1)C#N)C1CCCCCC1
Show InChI InChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair