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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Aldehyde oxidase (AO)'   
Target
(Institution)
LigandTarget
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 oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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PubMed
4.53E+3n/a 1.45E+4n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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PubMed
7.23E+3n/a 3.18E+4n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175349
PNG
(4'-Isopropyl Benzofuranone (4'-CH(CH3)2) |...)
Show SMILES CC(C)c1cccc2OC(=O)Cc12
Show InChI InChI=1S/C11H12O2/c1-7(2)8-4-3-5-10-9(8)6-11(12)13-10/h3-5,7H,6H2,1-2H3
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4.80E+4n/a 4.94E+4n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175350
PNG
(2',3',4'-three-Hydroxyl Benzofuranone ...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-11(6-8)21-12(14(9)19)5-7-1-4-10(17)15(20)13(7)18/h1-6,16-18,20H/b12-5-
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7.21E+4n/a 6.57E+4n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175348
PNG
(2',5'-di-Hydroxy Benzofuranone (2',5&#...)
Show SMILES OC1Oc2ccc(O)cc2C1=O
Show InChI InChI=1/C8H6O4/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,8-9,11H
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1.60E+5n/a 1.15E+5n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175345
PNG
(4'-Nitro Benzofuranone (4'-NO2) | 6-Hydrox...)
Show SMILES [O-][N+](=O)c1cccc2OC(=O)Cc12
Show InChI InChI=1S/C8H5NO4/c10-8-4-5-6(9(11)12)2-1-3-7(5)13-8/h1-3H,4H2
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1.60E+5n/a 1.71E+5n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175344
PNG
(2'-Nitro Benzofuranone (2'-NO2) | 6-Hydrox...)
Show SMILES [O-][N+](=O)C1Oc2ccccc2C1=O
Show InChI InChI=1/C8H5NO4/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4,8H
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2.53E+5n/a 1.93E+5n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175347
PNG
(2',4'-di-Hydroxy Benzofuranone (2',4&#...)
Show SMILES OC1Oc2cccc(O)c2C1=O
Show InChI InChI=1/C8H6O4/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3,8-9,11H
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1.40E+5n/a 2.01E+5n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM19461
PNG
(α-CA inhibitor, 5 | 5,7-dihydroxy-2-(4-hydrox...)
Show SMILES Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
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1.48E+5n/a 2.12E+5n/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175351
PNG
(3',4',5'-three-Hydroxyl Benzofuranone ...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-1-2-9-12(6-8)21-13(14(9)19)5-7-3-10(17)15(20)11(18)4-7/h1-6,16-18,20H/b13-5-
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1.34E+5n/an/an/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair
Aldehyde oxidase (AO)


(Cavia porcellus (Guinea pig))
BDBM175346
PNG
(2'-Hydroxy Benzofuranone (2'-OH) | 6-Hydro...)
Show SMILES OC1Oc2ccccc2C1=O
Show InChI InChI=1/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,8,10H
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4.42E+5n/an/an/an/an/an/an/an/a



Kermanshah University of Medical Sciences



Assay Description
Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...


Bioorg Chem 64: 74-84 (2016)

More data for this
Ligand-Target Pair