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PubMed code 1433175

Compile data set for download or QSAR
Found 2 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)
BDBM50003041
PNG
(CHEMBL121472 | N-(benzoyloxy)-N-cyanobenzamide)
Show SMILES O=C(ON(C#N)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H10N2O3/c16-11-17(14(18)12-7-3-1-4-8-12)20-15(19)13-9-5-2-6-10-13/h1-10H
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast alcohol dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
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
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%