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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50273176'   
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))
BDBM50273176
PNG
(2-cyano-4-(cyclohexylmethylamino)-N-phenethylpyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCCCC1)C#N
Show InChI InChI=1S/C21H25N5O/c22-13-19-24-15-18(20(26-19)25-14-17-9-5-2-6-10-17)21(27)23-12-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-12,14H2,(H,23,27)(H,24,25,26)
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MMDB

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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair