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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50223913'   
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


(Rattus norvegicus)
BDBM50223913
PNG
(6-((1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C21H26N6O2/c1-20(2,3)13-27-15(8-14-11-24-16(10-22)25-18(14)27)12-26-17(28)9-21(19(26)29)4-6-23-7-5-21/h8,11,23H,4-7,9,12-13H2,1-3H3
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MMDB

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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair