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PubMed code 7783118

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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 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)


BindingDB Entry DOI: 10.7270/Q25T3JHX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50034996
PNG
(Acetic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-be...)
Show SMILES CC(=O)ON1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H7NO5S/c1-6(11)15-10-9(12)7-4-2-3-5-8(7)16(10,13)14/h2-5H,1H3
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PubMed
n/an/a 2.40E+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: 1865-71 (1995)


BindingDB Entry DOI: 10.7270/Q25T3JHX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50034997
PNG
(2-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d...)
Show SMILES ON1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C7H5NO4S/c9-7-5-3-1-2-4-6(5)13(11,12)8(7)10/h1-4,10H
PDB
MMDB

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PubMed
n/an/a>1.00E+6n/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)


BindingDB Entry DOI: 10.7270/Q25T3JHX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%