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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50223910'   
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))
BDBM50223910
PNG
(6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair