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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50048687   
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))		BDBM50225462
PNG
(CHEMBL554775)
Show SMILES Cl.COc1cccc(c1)C(\CN)=C/F
Show InChI InChI=1S/C10H12FNO/c1-13-10-4-2-3-8(5-10)9(6-11)7-12/h2-6H,7,12H2,1H3/b9-6-
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225466
PNG
(CHEMBL544509)
Show SMILES Cl.NC\C(=C\F)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H9F4N/c11-5-8(6-15)7-2-1-3-9(4-7)10(12,13)14/h1-5H,6,15H2/b8-5-
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225455
PNG
(CHEMBL555332)
Show SMILES Cl.Cc1ccc(cc1)C(\CN)=C/F
Show InChI InChI=1S/C10H12FN/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-6H,7,12H2,1H3/b10-6-
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225456
PNG
(CHEMBL545207)
Show SMILES Cl.NC\C(=C\F)c1ccccc1
Show InChI InChI=1S/C9H10FN/c10-6-9(7-11)8-4-2-1-3-5-8/h1-6H,7,11H2/b9-6-
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225453
PNG
(CHEMBL541803)
Show SMILES Cl.NC\C(=C\F)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H9ClFN/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-5H,6,12H2/b8-5-
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
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 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225463
PNG
(CHEMBL538992)
Show SMILES Cl.NC\C(=C\F)c1cccc(O)c1
Show InChI InChI=1S/C9H10FNO/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-5,12H,6,11H2/b8-5-
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225449
PNG
(CHEMBL543328)
Show SMILES Cl.COc1ccc(cc1)C(\CN)=C/F
Show InChI InChI=1S/C10H12FNO/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-6H,7,12H2,1H3/b9-6-
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225452
PNG
(CHEMBL553995)
Show SMILES Cl.NC\C(=C\F)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H10FNO2/c10-4-7(5-11)6-1-2-8(12)9(13)3-6/h1-4,12-13H,5,11H2/b7-4-
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225464
PNG
(CHEMBL545677)
Show SMILES Cl.NC\C(=C/F)c1ccccc1
Show InChI InChI=1S/C9H10FN/c10-6-9(7-11)8-4-2-1-3-5-8/h1-6H,7,11H2/b9-6+
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225457
PNG
(CHEMBL538744)
Show SMILES Cl.COc1ccccc1\C(CN)=C/F
Show InChI InChI=1S/C10H12FNO/c1-13-10-5-3-2-4-9(10)8(6-11)7-12/h2-6H,7,12H2,1H3/b8-6-
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50261815
PNG
(2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine ...)
Show SMILES COc1ccc(cc1OC)C(\CN)=C/F
Show InChI InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225451
PNG
(CHEMBL544271)
Show SMILES Cl.[#7]-[#6]\[#6](=[#6](\F)F)-c1ccccc1
Show InChI InChI=1S/C9H9F2N/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5H,6,12H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225461
PNG
(CHEMBL555774)
Show SMILES Cl.NC\C(=C\Br)c1ccccc1
Show InChI InChI=1S/C9H10BrN/c10-6-9(7-11)8-4-2-1-3-5-8/h1-6H,7,11H2/b9-6-
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
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 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225459
PNG
(CHEMBL544507)
Show SMILES Cl.NC\C(=C\Cl)c1ccccc1
Show InChI InChI=1S/C9H10ClN/c10-6-9(7-11)8-4-2-1-3-5-8/h1-6H,7,11H2/b9-6-
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50026188
PNG
(2-Phenyl-allylamine | CHEMBL89394)
Show SMILES NCC(=C)c1ccccc1
Show InChI InChI=1S/C9H11N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1,7,10H2
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n/an/a 4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225465
PNG
(CHEMBL544506)
Show SMILES Cl.[#7]-[#6]\[#6](=[#6](\Br)Br)-c1ccccc1
Show InChI InChI=1S/C9H9Br2N/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5H,6,12H2
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n/an/a 5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225454
PNG
(Allylamine)
Show InChI InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
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n/an/a 5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))		BDBM50225460
PNG
(CHEMBL544742)
Show SMILES Cl.NC\C(=C/Cl)c1ccccc1
Show InChI InChI=1S/C9H10ClN/c10-6-9(7-11)8-4-2-1-3-5-8/h1-6H,7,11H2/b9-6+
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n/an/a 5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase

J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair