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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50139500'   
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))
BDBM50139500
PNG
(((S)-1-Aminooxalyl-pentyl)-carbamic acid tert-buty...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C12H22N2O4/c1-5-6-7-8(9(15)10(13)16)14-11(17)18-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,16)(H,14,17)/t8-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.89E+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))
BDBM50139500
PNG
(((S)-1-Aminooxalyl-pentyl)-carbamic acid tert-buty...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C12H22N2O4/c1-5-6-7-8(9(15)10(13)16)14-11(17)18-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,16)(H,14,17)/t8-/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 5.90E+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