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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 111.1
BDBM50023872
Wt: 121.1
BDBM50003595
Wt: 123.1
BDBM50003598
Wt: 125.2
BDBM50003143
Wt: 111.1
BDBM50003147
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Wt: 125.2
BDBM50003139
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Wt: 121.1
BDBM50028628
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Wt: 121.1
BDBM50028638
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Wt: 133.1
BDBM50026188
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Wt: 126.1
BDBM50046766
Wt: 115.2
BDBM50047898
Wt: 133.1
BDBM50057301
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Wt: 123.1
BDBM50161138
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Wt: 133.1
BDBM50236898
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Wt: 57.0
BDBM50225454
Displayed 1 to 15 (of 1558 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 62 hits in this display   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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940n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MAO B


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50028638
PNG
((-)-alpha-phenethylamine | (1S)-1-phenylethanamine...)
Show SMILES C[C@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
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1.98E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028638
PNG
((-)-alpha-phenethylamine | (1S)-1-phenylethanamine...)
Show SMILES C[C@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
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2.15E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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2.66E+4n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated f...


Bioorg Med Chem 19: 3709-16 (2011)


Article DOI: 10.1016/j.bmc.2011.02.017
BindingDB Entry DOI: 10.7270/Q2J38SWT
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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2.81E+4n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated f...


Bioorg Med Chem 19: 3709-16 (2011)


Article DOI: 10.1016/j.bmc.2011.02.017
BindingDB Entry DOI: 10.7270/Q2J38SWT
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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2.90E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)
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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4.03E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter


J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50023872
PNG
(CHEMBL2021574 | CHEMBL287749 | Dimethyl-penta-2,3-...)
Show SMILES CC=[C@]=CCN(C)C
Show InChI InChI=1S/C7H13N/c1-4-5-6-7-8(2)3/h4,6H,7H2,1-3H3/t5-/m0/s1
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5.90E+4n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine monoamine oxidase B.


J Med Chem 31: 1558-66 (1988)


Article DOI: 10.1021/jm00403a012
BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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6.14E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50023872
PNG
(CHEMBL2021574 | CHEMBL287749 | Dimethyl-penta-2,3-...)
Show SMILES CC=[C@]=CCN(C)C
Show InChI InChI=1S/C7H13N/c1-4-5-6-7-8(2)3/h4,6H,7H2,1-3H3/t5-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine monoamine oxidase B.


J Med Chem 31: 1558-66 (1988)


Article DOI: 10.1021/jm00403a012
BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Competitive inhibition of Bovine liver Monoamine Oxidase B at 30 degree C (pH= 9.0)


J Med Chem 31: 1558-66 (1988)


Article DOI: 10.1021/jm00403a012
BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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1.02E+5n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MAO A


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028638
PNG
((-)-alpha-phenethylamine | (1S)-1-phenylethanamine...)
Show SMILES C[C@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
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1.40E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028638
PNG
((-)-alpha-phenethylamine | (1S)-1-phenylethanamine...)
Show SMILES C[C@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
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1.49E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal norepinephrine N-methyl-transferase was determined


J Med Chem 25: 1248-50 (1983)


Article DOI: 10.1021/jm00352a031
BindingDB Entry DOI: 10.7270/Q2S46SJ3
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028638
PNG
((-)-alpha-phenethylamine | (1S)-1-phenylethanamine...)
Show SMILES C[C@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
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1.49E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine N-methyltransferase of bovine adrenal glands


J Med Chem 25: 1198-204 (1983)


Article DOI: 10.1021/jm00352a020
BindingDB Entry DOI: 10.7270/Q22V2F57
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003595
PNG
(4-Ethynyl-1-methyl-1,2,3,6-tetrahydro-pyridine | C...)
Show SMILES CN1CCC(=CC1)C#C
Show InChI InChI=1S/C8H11N/c1-3-8-4-6-9(2)7-5-8/h1,4H,5-7H2,2H3
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1.54E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


J Med Chem 35: 4165-74 (1992)


Article DOI: 10.1021/jm00100a023
BindingDB Entry DOI: 10.7270/Q22V2F3B
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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1.68E+5n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human truncated LSD1 lacking N-terminal 184 amino acids


Bioorg Med Chem 19: 3709-16 (2011)


Article DOI: 10.1016/j.bmc.2011.02.017
BindingDB Entry DOI: 10.7270/Q2J38SWT
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50057301
PNG
(C-Cuban-1-yl-methylamine | CHEMBL276317)
Show SMILES NCC12C3C4C5C3C1C5C24
Show InChI InChI=1S/C9H11N/c10-1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8H,1,10H2
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1.70E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated against mitochondrial Monoamine oxidase B


J Med Chem 40: 1165-8 (1997)


Article DOI: 10.1021/jm9606249
BindingDB Entry DOI: 10.7270/Q20864DP
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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1.90E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine monoamine oxidase B.


J Med Chem 31: 1558-66 (1988)


Article DOI: 10.1021/jm00403a012
BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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2.43E+5n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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2.84E+5n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human truncated LSD1 lacking N-terminal 184 amino acids


Bioorg Med Chem 19: 3709-16 (2011)


Article DOI: 10.1016/j.bmc.2011.02.017
BindingDB Entry DOI: 10.7270/Q2J38SWT
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003598
PNG
(1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine | CHE...)
Show SMILES CN1CCC(C=C)=CC1
Show InChI InChI=1S/C8H13N/c1-3-8-4-6-9(2)7-5-8/h3-4H,1,5-7H2,2H3
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3.30E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


J Med Chem 35: 4165-74 (1992)


Article DOI: 10.1021/jm00100a023
BindingDB Entry DOI: 10.7270/Q22V2F3B
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028638
PNG
((-)-alpha-phenethylamine | (1S)-1-phenylethanamine...)
Show SMILES C[C@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
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4.30E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50028638
PNG
((-)-alpha-phenethylamine | (1S)-1-phenylethanamine...)
Show SMILES C[C@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
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5.20E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine Oxidase B of Bovine liver in competitive inhibition assay at 25 degree C (pH=7.4)


J Med Chem 31: 1558-66 (1988)


Article DOI: 10.1021/jm00403a012
BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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1.60E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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1.68E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine N-methyltransferase of bovine adrenal glands


J Med Chem 25: 1198-204 (1983)


Article DOI: 10.1021/jm00352a020
BindingDB Entry DOI: 10.7270/Q22V2F57
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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1.68E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal norepinephrine N-methyl-transferase was determined


J Med Chem 25: 1248-50 (1983)


Article DOI: 10.1021/jm00352a031
BindingDB Entry DOI: 10.7270/Q2S46SJ3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50047898
PNG
(CHEMBL47794 | Dimethyl-pentyl-amine)
Show SMILES CCCCCN(C)C
Show InChI InChI=1S/C7H17N/c1-4-5-6-7-8(2)3/h4-7H2,1-3H3
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2.10E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


Article DOI: 10.1021/jm00064a004
BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028628
PNG
((1R)-1-phenylethanamine | (R)-alpha-methylbenzenem...)
Show SMILES C[C@@H](N)c1ccccc1
Show InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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4.80E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50046766
PNG
(CHEMBL139751 | Pentylamino-acetonitrile)
Show SMILES CCCCCNCC#N
Show InChI InChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h9H,2-4,6-7H2,1H3
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4.94E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)


J Med Chem 36: 446-8 (1993)


Article DOI: 10.1021/jm00056a004
BindingDB Entry DOI: 10.7270/Q24B30CC
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
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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1.30E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)


J Med Chem 29: 315-7 (1986)


Article DOI: 10.1021/jm00153a002
BindingDB Entry DOI: 10.7270/Q2H99464
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50046766
PNG
(CHEMBL139751 | Pentylamino-acetonitrile)
Show SMILES CCCCCNCC#N
Show InChI InChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h9H,2-4,6-7H2,1H3
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1.40E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)


J Med Chem 36: 446-8 (1993)


Article DOI: 10.1021/jm00056a004
BindingDB Entry DOI: 10.7270/Q24B30CC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 8.51n/an/an/an/an/a25



China Pharmaceutical University



Assay Description
The MAO-A and MAO-B screening biochemical assay was completed by Reaction Biology Corp. with the same assay format with LSD1 assay, and the detailed ...


Chem Biol Drug Des 85: 659-71 (2015)


Article DOI: 10.1111/cbdd.12461
BindingDB Entry DOI: 10.7270/Q2GF0S73
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 64.6n/an/an/an/an/a25



China Pharmaceutical University



Assay Description
The MAO-A and MAO-B screening biochemical assay was completed by Reaction Biology Corp. with the same assay format with LSD1 assay, and the detailed ...


Chem Biol Drug Des 85: 659-71 (2015)


Article DOI: 10.1111/cbdd.12461
BindingDB Entry DOI: 10.7270/Q2GF0S73
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of rat MAO-B using benzylamine as substrate


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of rat MAO-A using serotonin as substrate incubated for 1 hr


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161138
PNG
(4-(aminomethyl)pyridin-3-amine dihydrochloride | C...)
Show SMILES NCc1ccncc1N
Show InChI InChI=1S/C6H9N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3,7-8H2
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n/an/a 300n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003139
PNG
(CHEMBL545755 | sec-Butyl-methyl-prop-2-ynyl-amine;...)
Show SMILES CCC(C)N(C)CC#C
Show InChI InChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3
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n/an/a 490n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of deamination of dopamine (DA) by MAO at 5 x 10e-4 M


J Med Chem 35: 3705-13 (1992)


Article DOI: 10.1021/jm00098a017
BindingDB Entry DOI: 10.7270/Q2GF0V4K
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003139
PNG
(CHEMBL545755 | sec-Butyl-methyl-prop-2-ynyl-amine;...)
Show SMILES CCC(C)N(C)CC#C
Show InChI InChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


J Med Chem 35: 3705-13 (1992)


Article DOI: 10.1021/jm00098a017
BindingDB Entry DOI: 10.7270/Q2GF0V4K
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003143
PNG
(Butyl-methyl-prop-2-ynyl-amine; hydrochloride | CH...)
Show SMILES CCCCN(C)CC#C
Show InChI InChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h2H,4,6-8H2,1,3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


J Med Chem 35: 3705-13 (1992)


Article DOI: 10.1021/jm00098a017
BindingDB Entry DOI: 10.7270/Q2GF0V4K
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 3.04E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 51: 2158-69 (2008)


Article DOI: 10.1021/jm701447v
BindingDB Entry DOI: 10.7270/Q29G5NPZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 4.64E+3n/an/an/an/a7.525



China Pharmaceutical University



Assay Description
Briefly, the compounds in DMSO were added into the LSD1 in the reaction buffer consisting of 50 mM Tris¿HCl, pH 7.5, and 1% DMSO, using Acoustic Tech...


Chem Biol Drug Des 85: 659-71 (2015)


Article DOI: 10.1111/cbdd.12461
BindingDB Entry DOI: 10.7270/Q2GF0S73
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 6.96E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2B6


J Med Chem 51: 2158-69 (2008)


Article DOI: 10.1021/jm701447v
BindingDB Entry DOI: 10.7270/Q29G5NPZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
PDB
MMDB

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PubMed
n/an/a 1.57E+4n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161138
PNG
(4-(aminomethyl)pyridin-3-amine dihydrochloride | C...)
Show SMILES NCc1ccncc1N
Show InChI InChI=1S/C6H9N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3,7-8H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003147
PNG
(CHEMBL543649 | Isopropyl-methyl-prop-2-ynyl-amine;...)
Show SMILES CC(C)N(C)CC#C
Show InChI InChI=1S/C7H13N/c1-5-6-8(4)7(2)3/h1,7H,6H2,2-4H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


J Med Chem 35: 3705-13 (1992)


Article DOI: 10.1021/jm00098a017
BindingDB Entry DOI: 10.7270/Q2GF0V4K
More data for this
Ligand-Target Pair
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