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Compile Data Set for Download or QSAR

Found 3 hits of ec50 for UniProtKB: P05091   
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
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50557071
PNG
(CHEMBL465952)
Show SMILES Clc1cccc(Cl)c1C(=O)NCc1ccc2OCOc2c1
PDB
MMDB

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 4.30E+3n/an/an/an/a


TBA

Assay Description
Allosteric activation of recombinant human full-length ALDH2 (18 to 517 residues) expressed in Escherichia coli using acetaldehyde as substrate measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113119
BindingDB Entry DOI: 10.7270/Q25T3Q5H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50557070
PNG
(CHEMBL4755465)
Show SMILES COc1ccc(CNc2ccc(N3CCOCC3)c(c2)C(=O)NCC2CC2)cc1F
PDB
MMDB

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PC cid
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Article
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n/an/an/an/a 1.79E+4n/an/an/an/a


TBA

Assay Description
Allosteric activation of recombinant human full-length ALDH2 (18 to 517 residues) expressed in Escherichia coli using acetaldehyde as substrate measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113119
BindingDB Entry DOI: 10.7270/Q25T3Q5H
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
PDB
MMDB

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MCE
KEGG
PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/an/an/a 5.79E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at human recombinant ALDH2 measured after 1 hr


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128045
BindingDB Entry DOI: 10.7270/Q2N301QC
More data for this
Ligand-Target Pair