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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50426143'   
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))
BDBM50426143
PNG
(CHEMBL2316598)
Show SMILES CC(=NNC(N)=S)[C@]1(C)C[C@]2(CC(C)(C)OC2=O)C(=O)O1 |r,w:2.2|
Show InChI InChI=1S/C13H19N3O4S/c1-7(15-16-10(14)21)12(4)6-13(9(18)20-12)5-11(2,3)19-8(13)17/h5-6H2,1-4H3,(H3,14,16,21)/t12-,13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...


J Med Chem 56: 1478-90 (2013)


Article DOI: 10.1021/jm3013932
BindingDB Entry DOI: 10.7270/Q2W09774
More data for this
Ligand-Target Pair