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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50410965'   
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))
BDBM50410965
PNG
(CHEMBL376994)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(OC)c1
Show InChI InChI=1S/C29H31F3N4O6/c1-3-8-22(23(37)26-36-35-25(41-26)19-9-7-10-21(17-19)40-2)33-27(39)28(15-5-4-6-16-28)34-24(38)18-11-13-20(14-12-18)42-29(30,31)32/h7,9-14,17,22H,3-6,8,15-16H2,1-2H3,(H,33,39)(H,34,38)/t22-/m0/s1
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Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair