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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50139495'   
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))
BDBM50139495
PNG
(((S)-1-Benzylaminooxalyl-pentyl)-carbamic acid ter...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H28N2O4/c1-5-6-12-15(21-18(24)25-19(2,3)4)16(22)17(23)20-13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3,(H,20,23)(H,21,24)/t15-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Eur J Med Chem 45: 667-81 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.010
BindingDB Entry DOI: 10.7270/Q29C6ZP1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50139495
PNG
(((S)-1-Benzylaminooxalyl-pentyl)-carbamic acid ter...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H28N2O4/c1-5-6-12-15(21-18(24)25-19(2,3)4)16(22)17(23)20-13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3,(H,20,23)(H,21,24)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin K


Bioorg Med Chem Lett 14: 719-22 (2004)


BindingDB Entry DOI: 10.7270/Q2QV3KX1
More data for this
Ligand-Target Pair