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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM16497'   
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 B


(Bos taurus (bovine))
BDBM16497
PNG
((2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O |r|
Show InChI InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1
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PC cid
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Article
PubMed
n/an/a 2.40E+4n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)