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PubMed code 12620068

Compile data set for download or QSAR
Found 44 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
Monoamine oxidase


(Bos taurus)
BDBM50124548
PNG
(CHEMBL441306 | Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-...)
Show SMILES CN(CC#C)C(=C)c1ccc[nH]1
Show InChI InChI=1S/C10H12N2/c1-4-8-12(3)9(2)10-6-5-7-11-10/h1,5-7,11H,2,8H2,3H3
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5.40n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124547
PNG
(Benzyl-methyl-[1-(1H-pyrrol-2-yl)-vinyl]-amine | C...)
Show SMILES CN(Cc1ccccc1)C(=C)c1ccc[nH]1
Show InChI InChI=1S/C14H16N2/c1-12(14-9-6-10-15-14)16(2)11-13-7-4-3-5-8-13/h3-10,15H,1,11H2,2H3
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20n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124548
PNG
(CHEMBL441306 | Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-...)
Show SMILES CN(CC#C)C(=C)c1ccc[nH]1
Show InChI InChI=1S/C10H12N2/c1-4-8-12(3)9(2)10-6-5-7-11-10/h1,5-7,11H,2,8H2,3H3
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20n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
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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54n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Bos taurus)
BDBM15608
PNG
(CHEMBL353159 | N-Methyl,N-propargyl-1H-pyrrole-2-c...)
Show SMILES CN(CC#C)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3
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75n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124554
PNG
(Benzyl-methyl-[1-(1-methyl-1H-pyrrol-2-yl)-vinyl]-...)
Show SMILES CN(Cc1ccccc1)C(=C)c1cccn1C
Show InChI InChI=1S/C15H18N2/c1-13(15-10-7-11-16(15)2)17(3)12-14-8-5-4-6-9-14/h4-11H,1,12H2,2-3H3
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150n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124545
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid (2-fluoro-be...)
Show SMILES CN(Cc1ccccc1F)C(=O)c1cccn1C
Show InChI InChI=1S/C14H15FN2O/c1-16-9-5-8-13(16)14(18)17(2)10-11-6-3-4-7-12(11)15/h3-9H,10H2,1-2H3
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180n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124553
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid 3-fluoro-ben...)
Show SMILES Cn1cccc1C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C13H13FN2O/c1-16-7-3-6-12(16)13(17)15-9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3,(H,15,17)
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200n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15583
PNG
(CHEMBL174040 | N-Benzyl-1H-pyrrole-2-carboxamide |...)
Show SMILES O=C(NCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C12H12N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15)
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250n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124557
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid benzylamide ...)
Show SMILES Cn1cccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H14N2O/c1-15-9-5-8-12(15)13(16)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
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260n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124552
PNG
(1H-Pyrrole-2-carboxylic acid 3-fluoro-benzylamide ...)
Show SMILES Fc1cccc(CNC(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C12H11FN2O/c13-10-4-1-3-9(7-10)8-15-12(16)11-5-2-6-14-11/h1-7,14H,8H2,(H,15,16)
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340n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124549
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid benzyl-methy...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cccn1C
Show InChI InChI=1S/C14H16N2O/c1-15-10-6-9-13(15)14(17)16(2)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
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340n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124550
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid (4-fluoro-be...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)c1cccn1C
Show InChI InChI=1S/C14H15FN2O/c1-16-9-3-4-13(16)14(18)17(2)10-11-5-7-12(15)8-6-11/h3-9H,10H2,1-2H3
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360n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124553
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid 3-fluoro-ben...)
Show SMILES Cn1cccc1C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C13H13FN2O/c1-16-7-3-6-12(16)13(17)15-9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3,(H,15,17)
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400n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124544
PNG
(1H-Pyrrole-2-carboxylic acid (2-morpholin-4-yl-eth...)
Show SMILES O=C(NCCN1CCOCC1)c1ccc[nH]1
Show InChI InChI=1S/C11H17N3O2/c15-11(10-2-1-3-12-10)13-4-5-14-6-8-16-9-7-14/h1-3,12H,4-9H2,(H,13,15)
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400n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124555
PNG
(1H-Pyrrole-2-carboxylic acid 2-fluoro-benzylamide ...)
Show SMILES Fc1ccccc1CNC(=O)c1ccc[nH]1
Show InChI InChI=1S/C12H11FN2O/c13-10-5-2-1-4-9(10)8-15-12(16)11-6-3-7-14-11/h1-7,14H,8H2,(H,15,16)
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400n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124551
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid 4-fluoro-ben...)
Show SMILES Cn1cccc1C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H13FN2O/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(14)7-5-10/h2-8H,9H2,1H3,(H,15,17)
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400n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124543
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid (3-fluoro-be...)
Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cccn1C
Show InChI InChI=1S/C14H15FN2O/c1-16-8-4-7-13(16)14(18)17(2)10-11-5-3-6-12(15)9-11/h3-9H,10H2,1-2H3
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420n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124550
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid (4-fluoro-be...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)c1cccn1C
Show InChI InChI=1S/C14H15FN2O/c1-16-9-3-4-13(16)14(18)17(2)10-11-5-7-12(15)8-6-11/h3-9H,10H2,1-2H3
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450n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124556
PNG
(1H-Pyrrole-2-carboxylic acid cyclohexylmethyl-amid...)
Show SMILES O=C(NCC1CCCCC1)c1ccc[nH]1
Show InChI InChI=1S/C12H18N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9H2,(H,14,15)
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500n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124546
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid 2-fluoro-ben...)
Show SMILES Cn1cccc1C(=O)NCc1ccccc1F
Show InChI InChI=1S/C13H13FN2O/c1-16-8-4-7-12(16)13(17)15-9-10-5-2-3-6-11(10)14/h2-8H,9H2,1H3,(H,15,17)
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590n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15584
PNG
(CHEMBL352538 | N-Benzyl,N-methyl-1H-pyrrole-2-carb...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C13H14N2O/c1-15(10-11-6-3-2-4-7-11)13(16)12-8-5-9-14-12/h2-9,14H,10H2,1H3
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600n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124542
PNG
(1H-Pyrrole-2-carboxylic acid 4-fluoro-benzylamide ...)
Show SMILES Fc1ccc(CNC(=O)c2ccc[nH]2)cc1
Show InChI InChI=1S/C12H11FN2O/c13-10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8H2,(H,15,16)
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720n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
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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970n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124543
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid (3-fluoro-be...)
Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cccn1C
Show InChI InChI=1S/C14H15FN2O/c1-16-8-4-7-13(16)14(18)17(2)10-11-5-3-6-12(15)9-11/h3-9H,10H2,1-2H3
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980n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124547
PNG
(Benzyl-methyl-[1-(1H-pyrrol-2-yl)-vinyl]-amine | C...)
Show SMILES CN(Cc1ccccc1)C(=C)c1ccc[nH]1
Show InChI InChI=1S/C14H16N2/c1-12(14-9-6-10-15-14)16(2)11-13-7-4-3-5-8-13/h3-10,15H,1,11H2,2H3
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3.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124551
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid 4-fluoro-ben...)
Show SMILES Cn1cccc1C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H13FN2O/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(14)7-5-10/h2-8H,9H2,1H3,(H,15,17)
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5.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124546
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid 2-fluoro-ben...)
Show SMILES Cn1cccc1C(=O)NCc1ccccc1F
Show InChI InChI=1S/C13H13FN2O/c1-16-8-4-7-12(16)13(17)15-9-10-5-2-3-6-11(10)14/h2-8H,9H2,1H3,(H,15,17)
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8.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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1.15E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
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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3.80E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15608
PNG
(CHEMBL353159 | N-Methyl,N-propargyl-1H-pyrrole-2-c...)
Show SMILES CN(CC#C)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3
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5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
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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5.80E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124556
PNG
(1H-Pyrrole-2-carboxylic acid cyclohexylmethyl-amid...)
Show SMILES O=C(NCC1CCCCC1)c1ccc[nH]1
Show InChI InChI=1S/C12H18N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9H2,(H,14,15)
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8.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124554
PNG
(Benzyl-methyl-[1-(1-methyl-1H-pyrrol-2-yl)-vinyl]-...)
Show SMILES CN(Cc1ccccc1)C(=C)c1cccn1C
Show InChI InChI=1S/C15H18N2/c1-13(15-10-7-11-16(15)2)17(3)12-14-8-5-4-6-9-14/h4-11H,1,12H2,2-3H3
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8.50E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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>1.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124545
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid (2-fluoro-be...)
Show SMILES CN(Cc1ccccc1F)C(=O)c1cccn1C
Show InChI InChI=1S/C14H15FN2O/c1-16-9-5-8-13(16)14(18)17(2)10-11-6-3-4-7-12(11)15/h3-9H,10H2,1-2H3
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1.40E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15583
PNG
(CHEMBL174040 | N-Benzyl-1H-pyrrole-2-carboxamide |...)
Show SMILES O=C(NCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C12H12N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,14,15)
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1.50E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124557
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid benzylamide ...)
Show SMILES Cn1cccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H14N2O/c1-15-9-5-8-12(15)13(16)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
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1.50E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124552
PNG
(1H-Pyrrole-2-carboxylic acid 3-fluoro-benzylamide ...)
Show SMILES Fc1cccc(CNC(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C12H11FN2O/c13-10-4-1-3-9(7-10)8-15-12(16)11-5-2-6-14-11/h1-7,14H,8H2,(H,15,16)
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2.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15584
PNG
(CHEMBL352538 | N-Benzyl,N-methyl-1H-pyrrole-2-carb...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C13H14N2O/c1-15(10-11-6-3-2-4-7-11)13(16)12-8-5-9-14-12/h2-9,14H,10H2,1H3
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3.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124549
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid benzyl-methy...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cccn1C
Show InChI InChI=1S/C14H16N2O/c1-15-10-6-9-13(15)14(17)16(2)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
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3.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124542
PNG
(1H-Pyrrole-2-carboxylic acid 4-fluoro-benzylamide ...)
Show SMILES Fc1ccc(CNC(=O)c2ccc[nH]2)cc1
Show InChI InChI=1S/C12H11FN2O/c13-10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8H2,(H,15,16)
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4.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124555
PNG
(1H-Pyrrole-2-carboxylic acid 2-fluoro-benzylamide ...)
Show SMILES Fc1ccccc1CNC(=O)c1ccc[nH]1
Show InChI InChI=1S/C12H11FN2O/c13-10-5-2-1-4-9(10)8-15-12(16)11-6-3-7-14-11/h1-7,14H,8H2,(H,15,16)
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8.10E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124544
PNG
(1H-Pyrrole-2-carboxylic acid (2-morpholin-4-yl-eth...)
Show SMILES O=C(NCCN1CCOCC1)c1ccc[nH]1
Show InChI InChI=1S/C11H17N3O2/c15-11(10-2-1-3-12-10)13-4-5-14-6-8-16-9-7-14/h1-3,12H,4-9H2,(H,13,15)
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%