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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50188296'   
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))
BDBM50188296
PNG
((R)-2-{3'-[2-(4-tert-butyl-piperazin-1-yl)-thiazol...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(CC1)C(C)(C)C
Show InChI InChI=1S/C31H39N5OS/c1-22(2)18-27(29(37)33-13-12-32)25-10-6-8-23(19-25)24-9-7-11-26(20-24)28-21-38-30(34-28)35-14-16-36(17-15-35)31(3,4)5/h6-11,19-22,27H,13-18H2,1-5H3,(H,33,37)/t27-/m1/s1
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PC cid
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Article
PubMed
1.30n/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