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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50139480'   
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))
BDBM50139480
PNG
((S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C17H26N2O4S/c1-5-6-9-13(19-16(22)23-17(2,3)4)14(20)15(21)18-11-12-8-7-10-24-12/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.39E+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))
BDBM50139480
PNG
((S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C17H26N2O4S/c1-5-6-9-13(19-16(22)23-17(2,3)4)14(20)15(21)18-11-12-8-7-10-24-12/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,21)(H,19,22)/t13-/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 3.40E+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