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Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with Target = 'Aldehyde oxidase'   
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 oxidase


(Homo sapiens (Human))		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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 0.870n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using phthalazine as substrate assessed as enzyme-substrate complex by Lineweaver-...

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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 2.30n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Rattus norvegicus)		BDBM82507
PNG
((+/-)-Methadone | CAS_5967-73-7 | METHADONE | Meth...)
Show SMILES CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
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 30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)		BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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 60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/s2
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 430n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		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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 470n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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 620n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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 870n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50241107
PNG
(1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...)
Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
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 1.20E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		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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 1.50E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as enzyme-substrate complex by Lineweaver-Burk pl...

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Rattus norvegicus)		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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 3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)		BDBM50332779
PNG
(6,6'-azopurine | CHEMBL1630858)
Show SMILES c1nc2ncnc(N=Nc3ncnc4nc[nH]c34)c2[nH]1
Show InChI InChI=1S/C10H6N10/c1-11-5-7(13-1)15-3-17-9(5)19-20-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)/b20-19+
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 3.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/s2
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 3.60E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as enzyme-substrate complex by Lineweaver-Burk pl...

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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 4.40E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as enzyme-substrate complex by Lineweaver-Burk pl...

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
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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 4.53E+3n/a 1.45E+4n/an/an/an/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 5.10E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis

Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
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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 7.23E+3n/a 3.18E+4n/an/an/an/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366979
PNG
(PYRIDOXAL)
Show SMILES Cc1ncc(CO)c(C=O)c1O
Show InChI InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
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 3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3
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 8.30E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldehyde oxidase in human liver cytosol assessed as production of oxozoniporide

Drug Metab Dispos 40: 1441-8 (2012)


Article DOI: 10.1124/dmd.112.045195
BindingDB Entry DOI: 10.7270/Q2NK3GSM
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366978
PNG
(CHEMBL103375)
Show SMILES CCOP(=O)(CCC=O)c1ccccc1
Show InChI InChI=1/C11H15O3P/c1-2-14-15(13,10-6-9-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3
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 1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
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=1/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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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 1.55E+5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366976
PNG
(CHEMBL102691)
Show SMILES CCOC(CCP(=O)(OCC)OCC)OCC
Show InChI InChI=1S/C11H25O5P/c1-5-13-11(14-6-2)9-10-17(12,15-7-3)16-8-4/h11H,5-10H2,1-4H3
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 2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366982
PNG
(CHEMBL316980)
Show SMILES CCOP(=O)(CCC=O)OCC
Show InChI InChI=1S/C7H15O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h6H,3-5,7H2,1-2H3
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 2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366980
PNG
(CHEMBL318466)
Show SMILES CCOC(CCP(=O)(OCC)c1ccccc1)OCC
Show InChI InChI=1/C15H25O4P/c1-4-17-15(18-5-2)12-13-20(16,19-6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3
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 3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366977
PNG
(CHEMBL103253)
Show SMILES CCOP(=O)(CC=O)OCC
Show InChI InChI=1S/C6H13O4P/c1-3-9-11(8,6-5-7)10-4-2/h5H,3-4,6H2,1-2H3
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 3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366981
PNG
(CHEMBL318547)
Show SMILES CCOC(CP(=O)(OCC)c1ccccc1)OCC
Show InChI InChI=1/C14H23O4P/c1-4-16-14(17-5-2)12-19(15,18-6-3)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
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 4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
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/a7.0n/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)


Article DOI: 10.1016/j.bioorg.2015.12.004
BindingDB Entry DOI: 10.7270/Q2MP522Q
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50366975
PNG
(CHEMBL105079)
Show SMILES CCOC(CP(=O)(OCC)OCC)OCC
Show InChI InChI=1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3
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 1.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)

J Med Chem 23: 300-4 (1980)


Article DOI: 10.1021/jm00177a018
BindingDB Entry DOI: 10.7270/Q27D2VP0
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50130273
PNG
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM50332780
PNG
(7-Hydroxy-acridine-4-carboxylic acid (2-dimethylam...)
Show SMILES CN(C)CCNC(=O)c1cccc2cc3cc(O)ccc3nc12
Show InChI InChI=1S/C18H19N3O2/c1-21(2)9-8-19-18(23)15-5-3-4-12-10-13-11-14(22)6-7-16(13)20-17(12)15/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Macaca fascicularis)		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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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of monkey aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Mus musculus)		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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n/an/a 150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Rattus norvegicus)		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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n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		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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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Rattus norvegicus)		BDBM50332780
PNG
(7-Hydroxy-acridine-4-carboxylic acid (2-dimethylam...)
Show SMILES CN(C)CCNC(=O)c1cccc2cc3cc(O)ccc3nc12
Show InChI InChI=1S/C18H19N3O2/c1-21(2)9-8-19-18(23)15-5-3-4-12-10-13-11-14(22)6-7-16(13)20-17(12)15/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 340n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))		BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Mus musculus)		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Macaca fascicularis)		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of monkey aldehyde oxidase

J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
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