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BDBM16506 (2S)-1-(2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}acetyl)pyrrolidine-2-carboxylic acid::CA inhibitor 9::EtO-tES-Gly-Pro-OH::N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}glycyl-L-proline::epoxysuccinyl derivative 9

SMILES: [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=FPAGWFYFKBSXRX-HGNGGELXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16506   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin B


(Bos taurus (bovine))
BDBM16506
PNG
((2S)-1-(2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C13H18N2O7/c1-2-21-13(20)10-9(22-10)11(17)14-6-8(16)15-5-3-4-7(15)12(18)19/h7,9-10H,2-6H2,1H3,(H,14,17)(H,18,19)/t7-,9-,10-/m0/s1
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MMDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+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 (docked)