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PubMed code 6864731

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/B


(Rattus norvegicus (rat))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT (serotonin)


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224952
PNG
(CHEMBL441014)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC=C=C
Show InChI InChI=1S/C14H17Cl2NO/c1-3-4-8-17(2)9-5-10-18-14-7-6-12(15)11-13(14)16/h4,6-7,11H,1,5,8-10H2,2H3
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224950
PNG
(CHEMBL8877)
Show SMILES NCC(Cc1ccc(Cl)cc1)=C=C
Show InChI InChI=1S/C11H12ClN/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-6H,1,7-8,13H2
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224947
PNG
(CHEMBL8848)
Show SMILES NCC(Cc1ccccc1)=C=C
Show InChI InChI=1S/C11H13N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7H,1,8-9,12H2
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224967
PNG
(CHEMBL275108)
Show SMILES C=C=CCNCc1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3-8,12H,1,9-10H2
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224970
PNG
(CHEMBL8695)
Show SMILES CN(CC=C=C)Cc1ccccc1
Show InChI InChI=1S/C12H15N/c1-3-4-10-13(2)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2H3
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224948
PNG
(CHEMBL8712)
Show SMILES NCC(=C=C)c1ccccc1
Show InChI InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7H,1,8,11H2
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224950
PNG
(CHEMBL8877)
Show SMILES NCC(Cc1ccc(Cl)cc1)=C=C
Show InChI InChI=1S/C11H12ClN/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-6H,1,7-8,13H2
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224965
PNG
(CHEMBL268167)
Show SMILES Cc1ccc(CC(CN)=C=C)cc1
Show InChI InChI=1S/C12H15N/c1-3-11(9-13)8-12-6-4-10(2)5-7-12/h4-7H,1,8-9,13H2,2H3
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224966
PNG
(CHEMBL8467)
Show SMILES CN(CC=C=C)C1CCc2ccccc12
Show InChI InChI=1S/C14H17N/c1-3-4-11-15(2)14-10-9-12-7-5-6-8-13(12)14/h4-8,14H,1,9-11H2,2H3
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224953
PNG
(CHEMBL9068)
Show SMILES CNCC(Cc1ccccc1)=C=C
Show InChI InChI=1S/C12H15N/c1-3-11(10-13-2)9-12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2H3
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n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224971
PNG
(CHEMBL8974)
Show SMILES COc1ccc(CC(CN)=C=C)cc1
Show InChI InChI=1S/C12H15NO/c1-3-10(9-13)8-11-4-6-12(14-2)7-5-11/h4-7H,1,8-9,13H2,2H3
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n/an/a 580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA (phenethylamine)


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224971
PNG
(CHEMBL8974)
Show SMILES COc1ccc(CC(CN)=C=C)cc1
Show InChI InChI=1S/C12H15NO/c1-3-10(9-13)8-11-4-6-12(14-2)7-5-11/h4-7H,1,8-9,13H2,2H3
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224951
PNG
(CHEMBL269593)
Show SMILES CC(Cc1ccccc1)N(C)CC=C=C
Show InChI InChI=1S/C14H19N/c1-4-5-11-15(3)13(2)12-14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-3H3
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224965
PNG
(CHEMBL268167)
Show SMILES Cc1ccc(CC(CN)=C=C)cc1
Show InChI InChI=1S/C12H15N/c1-3-11(9-13)8-12-6-4-10(2)5-7-12/h4-7H,1,8-9,13H2,2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224967
PNG
(CHEMBL275108)
Show SMILES C=C=CCNCc1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3-8,12H,1,9-10H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224966
PNG
(CHEMBL8467)
Show SMILES CN(CC=C=C)C1CCc2ccccc12
Show InChI InChI=1S/C14H17N/c1-3-4-11-15(2)14-10-9-12-7-5-6-8-13(12)14/h4-8,14H,1,9-11H2,2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50452531
PNG
(CHEMBL2028089)
Show SMILES OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
Show InChI InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50452531
PNG
(CHEMBL2028089)
Show SMILES OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
Show InChI InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224946
PNG
(CHEMBL8534)
Show SMILES C=C=CCN1CCc2ccccc2C1
Show InChI InChI=1S/C13H15N/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14/h3-7H,1,8-11H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224952
PNG
(CHEMBL441014)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC=C=C
Show InChI InChI=1S/C14H17Cl2NO/c1-3-4-8-17(2)9-5-10-18-14-7-6-12(15)11-13(14)16/h4,6-7,11H,1,5,8-10H2,2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224951
PNG
(CHEMBL269593)
Show SMILES CC(Cc1ccccc1)N(C)CC=C=C
Show InChI InChI=1S/C14H19N/c1-4-5-11-15(3)13(2)12-14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-3H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224953
PNG
(CHEMBL9068)
Show SMILES CNCC(Cc1ccccc1)=C=C
Show InChI InChI=1S/C12H15N/c1-3-11(10-13-2)9-12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224946
PNG
(CHEMBL8534)
Show SMILES C=C=CCN1CCc2ccccc2C1
Show InChI InChI=1S/C13H15N/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14/h3-7H,1,8-11H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224948
PNG
(CHEMBL8712)
Show SMILES NCC(=C=C)c1ccccc1
Show InChI InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7H,1,8,11H2
PDB

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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224970
PNG
(CHEMBL8695)
Show SMILES CN(CC=C=C)Cc1ccccc1
Show InChI InChI=1S/C12H15N/c1-3-4-10-13(2)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224969
PNG
(CHEMBL276375)
Show SMILES CC=C=CCN(C)Cc1ccccc1 |(19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
Show InChI InChI=1S/C13H17N/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13/h3,5-10H,11-12H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50452531
PNG
(CHEMBL2028089)
Show SMILES OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
Show InChI InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50452531
PNG
(CHEMBL2028089)
Show SMILES OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
Show InChI InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)
PDB

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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224947
PNG
(CHEMBL8848)
Show SMILES NCC(Cc1ccccc1)=C=C
Show InChI InChI=1S/C11H13N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7H,1,8-9,12H2
PDB

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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224968
PNG
(CHEMBL8956)
Show SMILES CN(C)CC(Cc1ccccc1)=C=C
Show InChI InChI=1S/C13H17N/c1-4-12(11-14(2)3)10-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-3H3
PDB

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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224969
PNG
(CHEMBL276375)
Show SMILES CC=C=CCN(C)Cc1ccccc1 |(19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
Show InChI InChI=1S/C13H17N/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13/h3,5-10H,11-12H2,1-2H3
PDB

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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224949
PNG
(CHEMBL9064)
Show SMILES CC(C=C=C)N(C)Cc1ccccc1
Show InChI InChI=1S/C13H17N/c1-4-8-12(2)14(3)11-13-9-6-5-7-10-13/h5-10,12H,1,11H2,2-3H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224968
PNG
(CHEMBL8956)
Show SMILES CN(C)CC(Cc1ccccc1)=C=C
Show InChI InChI=1S/C13H17N/c1-4-12(11-14(2)3)10-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50224949
PNG
(CHEMBL9064)
Show SMILES CC(C=C=C)N(C)Cc1ccccc1
Show InChI InChI=1S/C13H17N/c1-4-8-12(2)14(3)11-13-9-6-5-7-10-13/h5-10,12H,1,11H2,2-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%