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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'batchelor' and Initial = 'jf'   
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))
BDBM50049679
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethyl-10,10-dio...)
Show SMILES CCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C18H16N2O3S/c1-2-11-3-6-15-14(9-11)17(21)13-5-4-12(18-19-7-8-20-18)10-16(13)24(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
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4n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049694
PNG
(3-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-10H-1...)
Show SMILES O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20|
Show InChI InChI=1S/C16H12N2O3S/c19-15-11-3-1-2-4-13(11)22(20,21)14-9-10(5-6-12(14)15)16-17-7-8-18-16/h1-6,9H,7-8H2,(H,17,18)
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80n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049682
PNG
(2-Methoxy-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1
Show InChI InChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049703
PNG
(6-(2-Methyl-2H-tetrazol-5-yl)-10,10-dioxo-2-propox...)
Show SMILES CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Show InChI InChI=1S/C18H16N4O4S/c1-3-8-26-12-5-7-15-14(10-12)17(23)13-6-4-11(9-16(13)27(15,24)25)18-19-21-22(2)20-18/h4-7,9-10H,3,8H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049671
PNG
(2-Methyl-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10-...)
Show SMILES Cc1nnc(o1)-c1ccc2C(=O)c3cc(C)ccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C17H12N2O4S/c1-9-3-6-14-13(7-9)16(20)12-5-4-11(8-15(12)24(14,21)22)17-19-18-10(2)23-17/h3-8H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049666
PNG
(5-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-2-yl)-...)
Show SMILES Cn1nnc(n1)-c1ccc2Oc3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C14H10N4O3S/c1-18-16-14(15-17-18)9-6-7-11-13(8-9)22(19,20)12-5-3-2-4-10(12)21-11/h2-8H,1H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049686
PNG
(2-Methoxy-6-(2-methyl-2H-tetrazol-5-yl)-10,10-diox...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Show InChI InChI=1S/C16H12N4O4S/c1-20-18-16(17-19-20)9-3-5-11-14(7-9)25(22,23)13-6-4-10(24-2)8-12(13)15(11)21/h3-8H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049701
PNG
(3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-10,10-dioxo-10H...)
Show SMILES Cc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C16H10N2O4S/c1-9-17-18-16(22-9)10-6-7-12-14(8-10)23(20,21)13-5-3-2-4-11(13)15(12)19/h2-8H,1H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049704
PNG
(2-(5-Methyl-[1,3,4]oxadiazol-2-yl)-10,11-dioxa-dib...)
Show SMILES Cc1nnc(o1)-c1ccc2c(OOc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H10N2O4/c1-9-17-18-16(20-9)10-6-7-12-14(8-10)22-21-13-5-3-2-4-11(13)15(12)19/h2-8H,1H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049687
PNG
(2-Isopropyl-6-(2-methyl-2H-tetrazol-5-yl)-10,10-di...)
Show SMILES CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Show InChI InChI=1S/C18H16N4O3S/c1-10(2)11-5-7-15-14(8-11)17(23)13-6-4-12(9-16(13)26(15,24)25)18-19-21-22(3)20-18/h4-10H,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049680
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-di...)
Show SMILES CCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
Show InChI InChI=1S/C18H16N2O4S/c1-2-24-12-4-6-15-14(10-12)17(21)13-5-3-11(18-19-7-8-20-18)9-16(13)25(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
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n/an/a 7n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049668
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-pro...)
Show SMILES CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C19H18N2O4S/c1-2-9-25-13-4-6-16-15(11-13)18(22)14-5-3-12(19-20-7-8-21-19)10-17(14)26(16,23)24/h3-6,10-11H,2,7-9H2,1H3,(H,20,21)
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n/an/a 9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase A (Expt 2)


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049665
PNG
(2-Allylamino-6-(4,5-dihydro-1H-imidazol-2-yl)-10,1...)
Show SMILES C=CCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C19H17N3O3S/c1-2-7-20-13-4-6-16-15(11-13)18(23)14-5-3-12(19-21-8-9-22-19)10-17(14)26(16,24)25/h2-6,10-11,20H,1,7-9H2,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049679
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethyl-10,10-dio...)
Show SMILES CCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C18H16N2O3S/c1-2-11-3-6-15-14(9-11)17(21)13-5-4-12(18-19-7-8-20-18)10-16(13)24(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
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n/an/a 10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049677
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-morpholin-4-yl-...)
Show SMILES O=C1c2ccc(cc2S(=O)(=O)c2ccc(cc12)N1CCOCC1)C1=NCCN1 |t:27|
Show InChI InChI=1S/C20H19N3O4S/c24-19-15-3-1-13(20-21-5-6-22-20)11-18(15)28(25,26)17-4-2-14(12-16(17)19)23-7-9-27-10-8-23/h1-4,11-12H,5-10H2,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049698
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-methoxy-10,10-d...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C17H14N2O4S/c1-23-11-3-5-14-13(9-11)16(20)12-4-2-10(17-18-6-7-19-17)8-15(12)24(14,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,19)
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n/an/a 10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049699
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethylamino-10,1...)
Show SMILES CCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
Show InChI InChI=1S/C18H17N3O3S/c1-2-19-12-4-6-15-14(10-12)17(22)13-5-3-11(18-20-7-8-21-18)9-16(13)25(15,23)24/h3-6,9-10,19H,2,7-8H2,1H3,(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049688
PNG
(3-(2-Methyl-2H-tetrazol-5-yl)-10,10-dioxo-10H-10la...)
Show SMILES Cn1nnc(n1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C15H10N4O3S/c1-19-17-15(16-18-19)9-6-7-11-13(8-9)23(21,22)12-5-3-2-4-10(12)14(11)20/h2-8H,1H3
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n/an/a 10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049675
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-pro...)
Show SMILES CCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C19H19N3O3S/c1-2-7-20-13-4-6-16-15(11-13)18(23)14-5-3-12(19-21-8-9-22-19)10-17(14)26(16,24)25/h3-6,10-11,20H,2,7-9H2,1H3,(H,21,22)
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n/an/a 20n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049706
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-thi...)
Show SMILES O=C1c2ccc(cc2S(=O)(=O)c2ccc(cc12)N1CCSCC1)C1=NCCN1 |t:27|
Show InChI InChI=1S/C20H19N3O3S2/c24-19-15-3-1-13(20-21-5-6-22-20)11-18(15)28(25,26)17-4-2-14(12-16(17)19)23-7-9-27-10-8-23/h1-4,11-12H,5-10H2,(H,21,22)
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n/an/a 20n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049705
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-dimethylamino-1...)
Show SMILES CN(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
Show InChI InChI=1S/C18H17N3O3S/c1-21(2)12-4-6-15-14(10-12)17(22)13-5-3-11(18-19-7-8-20-18)9-16(13)25(15,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049689
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-methyl-10,10-di...)
Show SMILES Cc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
Show InChI InChI=1S/C17H14N2O3S/c1-10-2-5-14-13(8-10)16(20)12-4-3-11(17-18-6-7-19-17)9-15(12)23(14,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,19)
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n/an/a 20n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049683
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-methylamino-10,...)
Show SMILES CNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C17H15N3O3S/c1-18-11-3-5-14-13(9-11)16(21)12-4-2-10(17-19-6-7-20-17)8-15(12)24(14,22)23/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
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n/an/a 23n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049668
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-pro...)
Show SMILES CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C19H18N2O4S/c1-2-9-25-13-4-6-16-15(11-13)18(22)14-5-3-12(19-20-7-8-21-19)10-17(14)26(16,23)24/h3-6,10-11H,2,7-9H2,1H3,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat brain mitochondrial Monoamine oxidase A (Expt 1)


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049685
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-(ethyl-methyl-a...)
Show SMILES CCN(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C19H19N3O3S/c1-3-22(2)13-5-7-16-15(11-13)18(23)14-6-4-12(19-20-8-9-21-19)10-17(14)26(16,24)25/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049690
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-(2-hydroxy-ethy...)
Show SMILES OCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C18H17N3O4S/c22-8-7-19-12-2-4-15-14(10-12)17(23)13-3-1-11(18-20-5-6-21-18)9-16(13)26(15,24)25/h1-4,9-10,19,22H,5-8H2,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049691
PNG
(2-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-2-yl)-...)
Show SMILES O=S1(=O)c2ccccc2Oc2ccc(cc12)C1=NCCN1 |t:19|
Show InChI InChI=1S/C15H12N2O3S/c18-21(19)13-4-2-1-3-11(13)20-12-6-5-10(9-14(12)21)15-16-7-8-17-15/h1-6,9H,7-8H2,(H,16,17)
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n/an/a 40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049670
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-pro...)
Show SMILES CCCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
Show InChI InChI=1S/C19H18N2O3S/c1-2-3-12-4-7-16-15(10-12)18(22)14-6-5-13(19-20-8-9-21-19)11-17(14)25(16,23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049693
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-isopropyl-10,10...)
Show SMILES CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
Show InChI InChI=1S/C19H18N2O3S/c1-11(2)12-4-6-16-15(9-12)18(22)14-5-3-13(19-20-7-8-21-19)10-17(14)25(16,23)24/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)
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n/an/a 50n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049678
PNG
(6-(5-Methyl-[1,3,4]oxadiazol-2-yl)-2-propoxy-thiox...)
Show SMILES CCCOc1ccc2sc3cc(ccc3c(=O)c2c1)-c1nnc(C)o1
Show InChI InChI=1S/C19H16N2O3S/c1-3-8-23-13-5-7-16-15(10-13)18(22)14-6-4-12(9-17(14)25-16)19-21-20-11(2)24-19/h4-7,9-10H,3,8H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50049686
PNG
(2-Methoxy-6-(2-methyl-2H-tetrazol-5-yl)-10,10-diox...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Show InChI InChI=1S/C16H12N4O4S/c1-20-18-16(17-19-20)9-3-5-11-14(7-9)25(22,23)13-6-4-10(24-2)8-12(13)15(11)21/h3-8H,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat brain mitochondrial Monoamine oxidase B


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049684
PNG
(2-Chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-di...)
Show SMILES Clc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
Show InChI InChI=1S/C16H11ClN2O3S/c17-10-2-4-13-12(8-10)15(20)11-3-1-9(16-18-5-6-19-16)7-14(11)23(13,21)22/h1-4,7-8H,5-6H2,(H,18,19)
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n/an/a 70n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049702
PNG
(3-(5-Methoxy-[1,2,4]oxadiazol-3-yl)-10,10-dioxo-10...)
Show SMILES COc1nc(no1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C16H10N2O5S/c1-22-16-17-15(18-23-16)9-6-7-11-13(8-9)24(20,21)12-5-3-2-4-10(12)14(11)19/h2-8H,1H3
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n/an/a 80n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049674
PNG
(3-(5-Methoxy-[1,3,4]oxadiazol-2-yl)-10,10-dioxo-10...)
Show SMILES COc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C16H10N2O5S/c1-22-16-18-17-15(23-16)9-6-7-11-13(8-9)24(20,21)12-5-3-2-4-10(12)14(11)19/h2-8H,1H3
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n/an/a 80n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049692
PNG
(2-Phenoxathiin-2-yl-4,5-dihydro-1H-imidazole | CHE...)
Show SMILES C1CN=C(N1)c1ccc2Oc3ccccc3Sc2c1 |c:2|
Show InChI InChI=1S/C15H12N2OS/c1-2-4-13-11(3-1)18-12-6-5-10(9-14(12)19-13)15-16-7-8-17-15/h1-6,9H,7-8H2,(H,16,17)
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n/an/a 100n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50049682
PNG
(2-Methoxy-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1
Show InChI InChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat brain mitochondrial Monoamine oxidase B


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50049672
PNG
(6-(2-Ethyl-2H-tetrazol-5-yl)-2-hydroxy-xanthen-9-o...)
Show SMILES CCn1nnc(n1)-c1ccc2c(c1)oc1ccc(O)cc1c2=O
Show InChI InChI=1S/C16H12N4O3/c1-2-20-18-16(17-19-20)9-3-5-11-14(7-9)23-13-6-4-10(21)8-12(13)15(11)22/h3-8,21H,2H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat brain mitochondrial Monoamine oxidase B


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049697
PNG
(5-Methyl-3-phenoxathiin-2-yl-[1,2,4]oxadiazole | C...)
Show SMILES Cc1nc(no1)-c1ccc2Oc3ccccc3Sc2c1
Show InChI InChI=1S/C15H10N2O2S/c1-9-16-15(17-19-9)10-6-7-12-14(8-10)20-13-5-3-2-4-11(13)18-12/h2-8H,1H3
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n/an/a 200n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049696
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-di...)
Show SMILES Fc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
Show InChI InChI=1S/C16H11FN2O3S/c17-10-2-4-13-12(8-10)15(20)11-3-1-9(16-18-5-6-19-16)7-14(11)23(13,21)22/h1-4,7-8H,5-6H2,(H,18,19)
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n/an/a 200n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049681
PNG
(2-(2-Amino-ethylamino)-6-(4,5-dihydro-1H-imidazol-...)
Show SMILES NCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C18H18N4O3S/c19-5-6-20-12-2-4-15-14(10-12)17(23)13-3-1-11(18-21-7-8-22-18)9-16(13)26(15,24)25/h1-4,9-10,20H,5-8,19H2,(H,21,22)
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n/an/a 300n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049694
PNG
(3-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-10H-1...)
Show SMILES O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20|
Show InChI InChI=1S/C16H12N2O3S/c19-15-11-3-1-2-4-13(11)22(20,21)14-9-10(5-6-12(14)15)16-17-7-8-18-16/h1-6,9H,7-8H2,(H,17,18)
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n/an/a 300n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049700
PNG
(2-Thianthren-2-yl-4,5-dihydro-1H-imidazole | CHEMB...)
Show SMILES C1CN=C(N1)c1ccc2Sc3ccccc3Sc2c1 |c:2|
Show InChI InChI=1S/C15H12N2S2/c1-2-4-12-11(3-1)18-13-6-5-10(9-14(13)19-12)15-16-7-8-17-15/h1-6,9H,7-8H2,(H,16,17)
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n/an/a 300n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049667
PNG
(3-(5-Ethyl-[1,3,4]oxadiazol-2-yl)-10,10-dioxo-10H-...)
Show SMILES CCc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C17H12N2O4S/c1-2-15-18-19-17(23-15)10-7-8-12-14(9-10)24(21,22)13-6-4-3-5-11(13)16(12)20/h3-9H,2H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049695
PNG
(2-tert-Butyl-6-(4,5-dihydro-1H-imidazol-2-yl)-10,1...)
Show SMILES CC(C)(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Show InChI InChI=1S/C20H20N2O3S/c1-20(2,3)13-5-7-16-15(11-13)18(23)14-6-4-12(19-21-8-9-22-19)10-17(14)26(16,24)25/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)
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n/an/a 800n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50049678
PNG
(6-(5-Methyl-[1,3,4]oxadiazol-2-yl)-2-propoxy-thiox...)
Show SMILES CCCOc1ccc2sc3cc(ccc3c(=O)c2c1)-c1nnc(C)o1
Show InChI InChI=1S/C19H16N2O3S/c1-3-8-23-13-5-7-16-15(10-13)18(22)14-6-4-12(9-17(14)25-16)19-21-20-11(2)24-19/h4-7,9-10H,3,8H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat brain mitochondrial Monoamine oxidase B


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049676
PNG
(3-(4,5-Dihydro-1H-imidazol-2-yl)-thioxanthen-9-one...)
Show SMILES O=c1c2ccccc2sc2cc(ccc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C16H12N2OS/c19-15-11-3-1-2-4-13(11)20-14-9-10(5-6-12(14)15)16-17-7-8-18-16/h1-6,9H,7-8H2,(H,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049673
PNG
(2-[8-(4,5-dihydro-1H-2-imidazolyl)-2-phenoxathiiny...)
Show SMILES C1CN=C(N1)c1ccc2Oc3ccc(cc3Sc2c1)C1=NCCN1 |c:2,t:23|
Show InChI InChI=1S/C18H16N4OS/c1-3-13-15(9-11(1)17-19-5-6-20-17)24-16-10-12(2-4-14(16)23-13)18-21-7-8-22-18/h1-4,9-10H,5-8H2,(H,19,20)(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049672
PNG
(6-(2-Ethyl-2H-tetrazol-5-yl)-2-hydroxy-xanthen-9-o...)
Show SMILES CCn1nnc(n1)-c1ccc2c(c1)oc1ccc(O)cc1c2=O
Show InChI InChI=1S/C16H12N4O3/c1-2-20-18-16(17-19-20)9-3-5-11-14(7-9)23-13-6-4-10(21)8-12(13)15(11)22/h3-8,21H,2H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50049669
PNG
(2-(10,10-Dioxo-10H-10lambda*6*-2-[8-(4,5-dihydro-1...)
Show SMILES O=S1(=O)c2cc(ccc2Oc2ccc(cc12)C1=NCCN1)C1=NCCN1 |t:19,25|
Show InChI InChI=1S/C18H16N4O3S/c23-26(24)15-9-11(17-19-5-6-20-17)1-3-13(15)25-14-4-2-12(10-16(14)26)18-21-7-8-22-18/h1-4,9-10H,5-8H2,(H,19,20)(H,21,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat brain mitochondrial Monoamine oxidase B 0.1(microM)


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50049692
PNG
(2-Phenoxathiin-2-yl-4,5-dihydro-1H-imidazole | CHE...)
Show SMILES C1CN=C(N1)c1ccc2Oc3ccccc3Sc2c1 |c:2|
Show InChI InChI=1S/C15H12N2OS/c1-2-4-13-11(3-1)18-12-6-5-10(9-14(12)19-13)15-16-7-8-17-15/h1-6,9H,7-8H2,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat brain mitochondrial Monoamine oxidase B


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
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