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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50154177'   
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))
BDBM50154177
PNG
(CHEMBL184370 | [1-(1-Phenyl-ethylaminooxalyl)-pent...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CSc2nccn2C)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C26H36N4O4S/c1-4-5-12-21(22(31)23(32)28-19(2)20-10-7-6-8-11-20)29-25(33)34-17-26(13-9-14-26)18-35-24-27-15-16-30(24)3/h6-8,10-11,15-16,19,21H,4-5,9,12-14,17-18H2,1-3H3,(H,28,32)(H,29,33)/t19-,21+/m1/s1
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Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory potency against human Cathepsin K


J Med Chem 47: 5057-68 (2004)


Article DOI: 10.1021/jm040107n
BindingDB Entry DOI: 10.7270/Q23T9GP0
More data for this
Ligand-Target Pair