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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50129077'   
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))
BDBM50129077
PNG
(Acetic acid (2S,3S)-3-[(1-benzyloxycarbonylamino-c...)
Show SMILES CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(CCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H23N3O6/c1-12(23)28-16-14(15(24)21-16)20-17(25)19(9-5-6-10-19)22-18(26)27-11-13-7-3-2-4-8-13/h2-4,7-8,14,16H,5-6,9-11H2,1H3,(H,20,25)(H,21,24)(H,22,26)/t14-,16+/m1/s1
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MMDB

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Similars

Article
PubMed
160n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against Cathepsin K


Bioorg Med Chem Lett 13: 2051-3 (2003)


Article DOI: 10.1016/s0960-894x(03)00304-4
BindingDB Entry DOI: 10.7270/Q2BG2NDJ
More data for this
Ligand-Target Pair