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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50323077'   
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))		BDBM50323077
PNG
(4-(3-isopropylphenyl)-6-propylpyrimidine-2-carboni...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C
Show InChI InChI=1S/C17H19N3/c1-4-6-15-10-16(20-17(11-18)19-15)14-8-5-7-13(9-14)12(2)3/h5,7-10,12H,4,6H2,1-3H3
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Article
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n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S

Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair