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PubMed code 15801832

Compile data set for download or QSAR
Found 38 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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164336
PNG
(2-(2-Chloro-4,6-dimethoxy-phenyl)-1-methyl-ethylam...)
Show SMILES COc1cc(Cl)c(CC(C)N)c(OC)c1
Show InChI InChI=1S/C11H16ClNO2/c1-7(13)4-9-10(12)5-8(14-2)6-11(9)15-3/h5-7H,4,13H2,1-3H3
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n/an/a 70n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164326
PNG
(2-(4-Ethylsulfanyl-2,6-dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCSc1cc(OC)c(CC(C)N)c(OC)c1
Show InChI InChI=1S/C13H21NO2S/c1-5-17-10-7-12(15-3)11(6-9(2)14)13(8-10)16-4/h7-9H,5-6,14H2,1-4H3
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n/an/a 80n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164327
PNG
(2-(4-Ethylsulfanyl-phenyl)-1-methyl-ethylamine | 2...)
Show SMILES CCSc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C11H17NS/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50063544
PNG
(1-(6-(methylthio)naphthalen-2-yl)propan-2-amine | ...)
Show SMILES CSc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50005270
PNG
(1-(4-ethoxyphenyl)propan-2-amine | 2-(4-Ethoxy-phe...)
Show SMILES CCOc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C11H17NO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164324
PNG
(2-(2,6-Dimethoxy-4-methylsulfanyl-phenyl)-1-methyl...)
Show SMILES COc1cc(SC)cc(OC)c1CC(C)N
Show InChI InChI=1S/C12H19NO2S/c1-8(13)5-10-11(14-2)6-9(16-4)7-12(10)15-3/h6-8H,5,13H2,1-4H3
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n/an/a 300n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164325
PNG
(CHEMBL189630 | [2-(2,5-Dimethoxy-4-propylsulfanyl-...)
Show SMILES CCCSc1cc(OC)c(CC(C)NC)cc1OC
Show InChI InChI=1S/C15H25NO2S/c1-6-7-19-15-10-13(17-4)12(8-11(2)16-3)9-14(15)18-5/h9-11,16H,6-8H2,1-5H3
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n/an/a 300n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164320
PNG
(2-(4-Isobutylsulfanyl-phenyl)-1-methyl-ethylamine ...)
Show SMILES CC(C)CSc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C13H21NS/c1-10(2)9-15-13-6-4-12(5-7-13)8-11(3)14/h4-7,10-11H,8-9,14H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164328
PNG
((+/-)1-Methyl-2-(2,4,6-trimethoxy-phenyl)-ethylami...)
Show SMILES COc1cc(OC)c(CC(C)N)c(OC)c1
Show InChI InChI=1S/C12H19NO3/c1-8(13)5-10-11(15-3)6-9(14-2)7-12(10)16-4/h6-8H,5,13H2,1-4H3
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n/an/a 400n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50005264
PNG
((+/-)2-(2,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)c(OC)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)7-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164333
PNG
(CHEMBL193215 | [1-(2,5-Dimethoxy-4-propylsulfanyl-...)
Show SMILES CCCSc1cc(OC)c(CC(CC)NC)cc1OC
Show InChI InChI=1S/C16H27NO2S/c1-6-8-20-16-11-14(18-4)12(10-15(16)19-5)9-13(7-2)17-3/h10-11,13,17H,6-9H2,1-5H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164339
PNG
(CHEMBL190164 | [2-(4-Ethylsulfanyl-2,5-dimethoxy-p...)
Show SMILES CCSc1cc(OC)c(CC(C)NC)cc1OC
Show InChI InChI=1S/C14H23NO2S/c1-6-18-14-9-12(16-4)11(7-10(2)15-3)8-13(14)17-5/h8-10,15H,6-7H2,1-5H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164334
PNG
(CHEMBL190857 | [2-(2,5-Dimethoxy-4-methylsulfanyl-...)
Show SMILES CNC(C)Cc1cc(OC)c(SC)cc1OC
Show InChI InChI=1S/C13H21NO2S/c1-9(14-2)6-10-7-12(16-4)13(17-5)8-11(10)15-3/h7-9,14H,6H2,1-5H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164321
PNG
(2-(2,5-Dimethoxy-4-propylsulfanyl-phenyl)-1-methyl...)
Show SMILES CCCSc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C14H23NO2S/c1-5-6-18-14-9-12(16-3)11(7-10(2)15)8-13(14)17-4/h8-10H,5-7,15H2,1-4H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164338
PNG
(2-(4-Butylsulfanyl-2,5-dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCCCSc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C15H25NO2S/c1-5-6-7-19-15-10-13(17-3)12(8-11(2)16)9-14(15)18-4/h9-11H,5-8,16H2,1-4H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164337
PNG
(2-(4-Ethylsulfanyl-2,5-dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCSc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50029100
PNG
(2-(4-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL35...)
Show SMILES CC(N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164342
PNG
(CHEMBL193045 | [1-(4-Ethylsulfanyl-2,5-dimethoxy-b...)
Show SMILES CCSc1cc(OC)c(CC(CC)NC)cc1OC
Show InChI InChI=1S/C15H25NO2S/c1-6-12(16-3)8-11-9-14(18-5)15(19-7-2)10-13(11)17-4/h9-10,12,16H,6-8H2,1-5H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164329
PNG
(2-(2,5-Dimethoxy-4-methylsulfanyl-phenyl)-1-methyl...)
Show SMILES COc1cc(SC)c(OC)cc1CC(C)N
Show InChI InChI=1S/C12H19NO2S/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-8H,5,13H2,1-4H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164322
PNG
(1-(2,5-Dimethoxy-4-propylsulfanyl-benzyl)-propylam...)
Show SMILES CCCSc1cc(OC)c(CC(N)CC)cc1OC
Show InChI InChI=1S/C15H25NO2S/c1-5-7-19-15-10-13(17-3)11(8-12(16)6-2)9-14(15)18-4/h9-10,12H,5-8,16H2,1-4H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164323
PNG
(2-(2-Bromo-4,5-dimethoxy-phenyl)-1-methyl-ethylami...)
Show SMILES COc1cc(Br)c(CC(C)N)cc1OC
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-10(14-2)11(15-3)6-9(8)12/h5-7H,4,13H2,1-3H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164319
PNG
(CHEMBL426457 | N*1*-(1-Methyl-2-phenyl-ethyl)-3-ph...)
Show SMILES CC(Cc1ccccc1)NCC(N)Cc1ccccc1
Show InChI InChI=1S/C18H24N2/c1-15(12-16-8-4-2-5-9-16)20-14-18(19)13-17-10-6-3-7-11-17/h2-11,15,18,20H,12-14,19H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164331
PNG
(1-(4-Ethylsulfanyl-2,5-dimethoxy-benzyl)-propylami...)
Show SMILES CCSc1cc(OC)c(CC(N)CC)cc1OC
Show InChI InChI=1S/C14H23NO2S/c1-5-11(15)7-10-8-13(17-4)14(18-6-2)9-12(10)16-3/h8-9,11H,5-7,15H2,1-4H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164332
PNG
(2-(5-Bromo-2,4-dimethoxy-phenyl)-1-methyl-ethylami...)
Show SMILES COc1cc(OC)c(CC(C)N)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-9(12)11(15-3)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164318
PNG
(2-(2,5-Dimethoxy-4-pentylsulfanyl-phenyl)-1-methyl...)
Show SMILES CCCCCSc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C16H27NO2S/c1-5-6-7-8-20-16-11-14(18-3)13(9-12(2)17)10-15(16)19-4/h10-12H,5-9,17H2,1-4H3
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n/an/a 1.43E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164340
PNG
(CHEMBL189916 | [1-(2,5-Dimethoxy-4-methylsulfanyl-...)
Show SMILES CCC(Cc1cc(OC)c(SC)cc1OC)NC
Show InChI InChI=1S/C14H23NO2S/c1-6-11(15-2)7-10-8-13(17-4)14(18-5)9-12(10)16-3/h8-9,11,15H,6-7H2,1-5H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164330
PNG
(2-(4-Isopropylsulfanyl-2,5-dimethoxy-phenyl)-1-met...)
Show SMILES COc1cc(SC(C)C)c(OC)cc1CC(C)N
Show InChI InChI=1S/C14H23NO2S/c1-9(2)18-14-8-12(16-4)11(6-10(3)15)7-13(14)17-5/h7-10H,6,15H2,1-5H3
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n/an/a 2.73E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164341
PNG
(1-(2,5-Dimethoxy-4-methylsulfanyl-benzyl)-propylam...)
Show SMILES CCC(N)Cc1cc(OC)c(SC)cc1OC
Show InChI InChI=1S/C13H21NO2S/c1-5-10(14)6-9-7-12(16-3)13(17-4)8-11(9)15-2/h7-8,10H,5-6,14H2,1-4H3
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n/an/a 3.09E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50014991
PNG
(4-(2-Amino-propyl)-2,5-dimethoxy-phenylamine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1N
Show InChI InChI=1S/C11H18N2O2/c1-7(12)4-8-5-11(15-3)9(13)6-10(8)14-2/h5-7H,4,12-13H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50014996
PNG
((+/-)2-(2,5-Dimethoxy-4-nitro-phenyl)-1-methyl-eth...)
Show SMILES COc1cc(c(OC)cc1CC(C)N)[N+]([O-])=O
Show InChI InChI=1S/C11H16N2O4/c1-7(12)4-8-5-11(17-3)9(13(14)15)6-10(8)16-2/h5-7H,4,12H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50005251
PNG
((+/-)2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(OC)c(CC(C)N)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50164335
PNG
(2-(2,5-Dimethoxy-4-phenethylsulfanyl-phenyl)-1-met...)
Show SMILES COc1cc(SCCc2ccccc2)c(OC)cc1CC(C)N
Show InChI InChI=1S/C19H25NO2S/c1-14(20)11-16-12-18(22-3)19(13-17(16)21-2)23-10-9-15-7-5-4-6-8-15/h4-8,12-14H,9-11,20H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50038370
PNG
(2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methy...)
Show SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F
Show InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension

J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%