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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50148292'   
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))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)