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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50323263'   
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 K


(Homo sapiens (Human))		BDBM50323263
PNG
(1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluor...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN(C)C)cnc2c(n1)C#N
Show InChI InChI=1S/C20H20F3N5O/c1-4-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)8-7-27(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3
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MMDB

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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay

Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair