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There are 7 purchasable compounds for target: Aldehyde dehydrogenase 1A1

Wt: 111.1
BDBM11365
Wt: 173.1
BDBM11372
Wt: 291.7
BDBM50003042
Wt: 187.1
BDBM50035004
Wt: 235.1
BDBM50034999
Wt: 162.1
BDBM50035000
Wt: 107.1
BDBM50065935

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 11365,11372,50003042,50035004,50034999,50035000,50065935   
Target
(Institution)
LigandTarget
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 1A1


(Rattus norvegicus)
BDBM50003042
PNG
(CHEMBL331385 | N-Acetoxy-N-acetyl-4-chloro-benzene...)
Show SMILES CC(=O)ON(C(C)=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H10ClNO5S/c1-7(13)12(17-8(2)14)18(15,16)10-5-3-9(11)4-6-10/h3-6H,1-2H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast alcohol dehydrogenase


J Med Chem 35: 3648-52 (1992)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1865-71 (1995)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50034999
PNG
(CHEMBL55416 | Carbonic acid 1,3-dioxo-1,3-dihydro-...)
Show SMILES CCOC(=O)ON1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H9NO5/c1-2-16-11(15)17-12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3
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PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1872-6 (1995)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50035004
PNG
(CHEMBL56060 | Carbonic acid 2,5-dioxo-pyrrolidin-1...)
Show SMILES CCOC(=O)ON1C(=O)CCC1=O
Show InChI InChI=1S/C7H9NO5/c1-2-12-7(11)13-8-5(9)3-4-6(8)10/h2-4H2,1H3
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n/an/a 5.70E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1872-6 (1995)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065935
PNG
(CHEMBL98797 | NOB | Nitrosobenzene (Substrate 1) |...)
Show SMILES O=Nc1ccccc1
Show InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50035000
PNG
(CHEMBL55517 | Dicarbonic acid diethyl ester | Diet...)
Show SMILES CCOC(=O)OC(=O)OCC
Show InChI InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
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PubMed
n/an/a 7.40E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1872-6 (1995)

More data for this
Ligand-Target Pair