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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50188294'   
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))
BDBM50188294
PNG
((R)-4-methyl-2-[3'-(2-piperazin-1-ylmethyl-thiazol...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(CN2CCNCC2)n1
Show InChI InChI=1S/C28H33N5OS/c1-20(2)15-25(28(34)31-10-9-29)23-7-3-5-21(16-23)22-6-4-8-24(17-22)26-19-35-27(32-26)18-33-13-11-30-12-14-33/h3-8,16-17,19-20,25,30H,10-15,18H2,1-2H3,(H,31,34)/t25-/m1/s1
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PC cid
PC sid
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Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Bioorg Med Chem Lett 16: 4296-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.061
BindingDB Entry DOI: 10.7270/Q2KW5FNN
More data for this
Ligand-Target Pair