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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase (ALDH2)' and Ligand = 'BDBM118226'   
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
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118226
PNG
(US8673966, N-(4-(7-((1-(2-hydroxypropanoyl)azetidi...)
Show SMILES CC(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C24H22N2O6S/c1-15(27)24(29)26-12-17(13-26)4-3-16-5-10-20-22(11-16)32-14-21(23(20)28)18-6-8-19(9-7-18)25-33(2,30)31/h5-11,14-15,17,25,27H,12-13H2,1-2H3
PDB
MMDB

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Similars

US Patent
n/an/a 15n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


Citation and Details
More data for this
Ligand-Target Pair