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Compile Data Set for Download or QSAR

Found 287 hits of ki for UniProtKB: P56560   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476106
PNG
(CHEMBL385117)
Show SMILES Cc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2S/c1-13-7-9-14(10-8-13)11-18-17-19-16(12-20-17)15-5-3-2-4-6-15/h2-12H,1H3/b18-11+
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0.813n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11014
PNG
((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8|
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1
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1 -12.8n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476100
PNG
(CHEMBL220548)
Show SMILES Cc1csc(N\N=C\c2ccccc2)n1
Show InChI InChI=1S/C11H11N3S/c1-9-8-15-11(13-9)14-12-7-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)/b12-7+
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1.30n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273561
PNG
(CHEMBL459336 | N-Methyl,N-(3-phenylpropyl)-1-methy...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H22N2O/c1-21(14-8-11-16-9-4-3-5-10-16)20(23)19-15-17-12-6-7-13-18(17)22(19)2/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11004
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S |t:8|
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)
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1.5 -12.6n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11015
PNG
((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8|
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1
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2.70 -12.2n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476107
PNG
(CHEMBL375007)
Show SMILES COc1ccc(\C=N\Nc2nc(C)cs2)cc1
Show InChI InChI=1S/C12H13N3OS/c1-9-8-17-12(14-9)15-13-7-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,14,15)/b13-7+
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4.10n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11010
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1cccs1 |c:4|
Show InChI InChI=1S/C14H12ClN3S2/c15-10-5-3-9(4-6-10)12-8-11(13-2-1-7-20-13)17-18(12)14(16)19/h1-7,12H,8H2,(H2,16,19)
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6 -11.7n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476114
PNG
(CHEMBL385124)
Show SMILES COc1ccc(\C=N\Nc2nc(C)cs2)cc1OC
Show InChI InChI=1S/C13H15N3O2S/c1-9-8-19-13(15-9)16-14-7-10-4-5-11(17-2)12(6-10)18-3/h4-8H,1-3H3,(H,15,16)/b14-7+
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7.10n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476111
PNG
(CHEMBL375807)
Show SMILES Cc1csc(N\N=C\c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C11H10ClN3S/c1-8-7-16-11(14-8)15-13-6-9-2-4-10(12)5-3-9/h2-7H,1H3,(H,14,15)/b13-6+
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9.10n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11011
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1cccs1 |c:10|
Show InChI InChI=1S/C15H15N3S2/c1-10-4-6-11(7-5-10)13-9-12(14-3-2-8-20-14)17-18(13)15(16)19/h2-8,13H,9H2,1H3,(H2,16,19)
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10 -11.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11005
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)cc1 |c:10|
Show InChI InChI=1S/C18H19N3S/c1-12-3-7-14(8-4-12)16-11-17(21(20-16)18(19)22)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3,(H2,19,22)
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10 -11.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273659
PNG
((S)-N-(a-Cyclohexylethyl)-N-methyl-1-methyl-1Hindo...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
Show InChI InChI=1S/C19H26N2O/c1-14(15-9-5-4-6-10-15)20(2)19(22)18-13-16-11-7-8-12-17(16)21(18)3/h7-8,11-15H,4-6,9-10H2,1-3H3/t14-/m0/s1
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15n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273657
PNG
((S)-N-(alpha-Cyclohexylethyl),N-methyl-1H-indole-2...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H24N2O/c1-13(14-8-4-3-5-9-14)20(2)18(21)17-12-15-10-6-7-11-16(15)19-17/h6-7,10-14,19H,3-5,8-9H2,1-2H3/t13-/m0/s1
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16n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476101
PNG
(CHEMBL221392)
Show SMILES Cc1csc(N\N=C\c2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C11H9Cl2N3S/c1-7-6-17-11(15-7)16-14-5-8-2-3-9(12)4-10(8)13/h2-6H,1H3,(H,15,16)/b14-5+
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17n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273595
PNG
(CHEMBL462097 | N-(1H-Indol-2-ylmethyl)-N-methyl-N-...)
Show SMILES CN(CCc1ccccc1)Cc1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-10,13,19H,11-12,14H2,1H3
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20n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15611
PNG
(N-Methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine ...)
Show SMILES CN(CC#C)Cc1ccc[nH]1
Show InChI InChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
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20n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476113
PNG
(CHEMBL425640)
Show SMILES COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1OC
Show InChI InChI=1S/C18H17N3O2S/c1-22-16-9-8-13(10-17(16)23-2)11-19-21-18-20-15(12-24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,21)/b19-11+
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20n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11012
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES NC(=S)N1N=C(CC1c1ccco1)c1cccs1 |c:4|
Show InChI InChI=1S/C12H11N3OS2/c13-12(17)15-9(10-3-1-5-16-10)7-8(14-15)11-4-2-6-18-11/h1-6,9H,7H2,(H2,13,17)
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20 -11.0n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15592
PNG
(CHEMBL374335 | N-Methyl,N-(benzyl),N-(pyrrol-2-ylm...)
Show SMILES CN(Cc1ccc[nH]1)Cc1ccccc1
Show InChI InChI=1S/C13H16N2/c1-15(11-13-8-5-9-14-13)10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
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20n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15592
PNG
(CHEMBL374335 | N-Methyl,N-(benzyl),N-(pyrrol-2-ylm...)
Show SMILES CN(Cc1ccc[nH]1)Cc1ccccc1
Show InChI InChI=1S/C13H16N2/c1-15(11-13-8-5-9-14-13)10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
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20n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273488
PNG
(CHEMBL464798 | N-Methyl, N-phenyl-1-methyl-1H-indo...)
Show SMILES CN(C(=O)c1cc2ccccc2n1C)c1ccccc1
Show InChI InChI=1S/C17H16N2O/c1-18(14-9-4-3-5-10-14)17(20)16-12-13-8-6-7-11-15(13)19(16)2/h3-12H,1-2H3
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21n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273621
PNG
(CHEMBL450824 | N-(1H-Indol-2-ylmethyl)-N-methyl-N-...)
Show SMILES CN(CCCc1ccccc1)Cc1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H22N2/c1-21(13-7-10-16-8-3-2-4-9-16)15-18-14-17-11-5-6-12-19(17)20-18/h2-6,8-9,11-12,14,20H,7,10,13,15H2,1H3
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25n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15604
PNG
((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m1/s1
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30n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273661
PNG
((S)-N-(alpha-Cyclohexylethyl)-N-(1H-indol-2-ylmeth...)
Show SMILES C[C@@H](C1CCCCC1)N(C)Cc1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H26N2/c1-14(15-8-4-3-5-9-15)20(2)13-17-12-16-10-6-7-11-18(16)19-17/h6-7,10-12,14-15,19H,3-5,8-9,13H2,1-2H3/t14-/m0/s1
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30n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273529
PNG
(CHEMBL503807 | N-Methyl,N-(2-phenylethyl)-1-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C19H20N2O/c1-20(13-12-15-8-4-3-5-9-15)19(22)18-14-16-10-6-7-11-17(16)21(18)2/h3-11,14H,12-13H2,1-2H3
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37n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11008
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(F)cc1 |c:10|
Show InChI InChI=1S/C17H16FN3S/c1-11-2-4-13(5-3-11)16-10-15(20-21(16)17(19)22)12-6-8-14(18)9-7-12/h2-9,16H,10H2,1H3,(H2,19,22)
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50 -10.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11013
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES NC(=S)N1N=C(CC1c1cccs1)c1cccs1 |c:4|
Show InChI InChI=1S/C12H11N3S3/c13-12(16)15-9(11-4-2-6-18-11)7-8(14-15)10-3-1-5-17-10/h1-6,9H,7H2,(H2,13,16)
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50 -10.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476102
PNG
(CHEMBL412711)
Show SMILES N(\N=C\c1ccccc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H13N3S/c1-3-7-13(8-4-1)11-17-19-16-18-15(12-20-16)14-9-5-2-6-10-14/h1-12H,(H,18,19)/b17-11+
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91n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50326652
PNG
(1-cyclohexylidene-2-(4-phenylthiazol-2-yl)hydrazin...)
Show SMILES [#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H17N3S/c1-3-7-12(8-4-1)14-11-19-15(16-14)18-17-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,18)
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91n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273486
PNG
(CHEMBL464597 | N-Methyl,N-phenyl-1H-indole-2-carbo...)
Show SMILES CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C16H14N2O/c1-18(13-8-3-2-4-9-13)16(19)15-11-12-7-5-6-10-14(12)17-15/h2-11,17H,1H3
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94n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273692
PNG
((S)-N-(alpha-Cyclohexylethyl)-N-(1H-indol-2-ylmeth...)
Show SMILES C[C@@H](C1CCCCC1)N(C)Cc1cc2ccccc2n1C |r|
Show InChI InChI=1S/C19H28N2/c1-15(16-9-5-4-6-10-16)20(2)14-18-13-17-11-7-8-12-19(17)21(18)3/h7-8,11-13,15-16H,4-6,9-10,14H2,1-3H3/t15-/m0/s1
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100n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273528
PNG
(CHEMBL460608 | N-Methyl,N-(2-phenylethyl)-1H-indol...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c1-20(12-11-14-7-3-2-4-8-14)18(21)17-13-15-9-5-6-10-16(15)19-17/h2-10,13,19H,11-12H2,1H3
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100n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM15586
PNG
(N-(2-Phenylethyl),N-methyl-1H-pyrrole-2-carboxamid...)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C14H16N2O/c1-16(14(17)13-8-5-10-15-13)11-9-12-6-3-2-4-7-12/h2-8,10,15H,9,11H2,1H3
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120n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273489
PNG
(CHEMBL464799 | N-Benzyl-1H-indole-2-carboxamide)
Show SMILES O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H14N2O/c19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-10,18H,11H2,(H,17,19)
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120n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476105
PNG
(CHEMBL221483)
Show SMILES Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2N3S/c17-13-7-6-12(14(18)8-13)9-19-21-16-20-15(10-22-16)11-4-2-1-3-5-11/h1-10H,(H,20,21)/b19-9+
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132n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476112
PNG
(CHEMBL385122)
Show SMILES COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H15N3OS/c1-21-15-9-7-13(8-10-15)11-18-20-17-19-16(12-22-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)/b18-11+
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132n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11006
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(N)=S |t:8|
Show InChI InChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-19-14)18(17-12)15(16)20/h2-8,13H,9H2,1H3,(H2,16,20)
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170 -9.63n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476103
PNG
(CHEMBL435310)
Show SMILES Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12ClN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20)/b18-10+
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170n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273527
PNG
(CHEMBL460610 | N-(2-Phenylethyl)-1H-indole-2-carbo...)
Show SMILES O=C(NCCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C17H16N2O/c20-17(18-11-10-13-6-2-1-3-7-13)16-12-14-8-4-5-9-15(14)19-16/h1-9,12,19H,10-11H2,(H,18,20)
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190n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50110715
PNG
(5-Methoxymethyl-3-[4-(4,4,4-trifluoro-3-hydroxy-bu...)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1
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220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50361617
PNG
(BEFLOXATONE)
Show SMILES COC[C@H]1CN(C(=O)O1)c1ccc(OCC[C@@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
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220n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273485
PNG
(CHEMBL454487 | N-Phenyl-1H-indole-2-carboxamide)
Show SMILES O=C(Nc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N2O/c18-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)17-14/h1-10,17H,(H,16,18)
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230n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50361603
PNG
(CHEMBL1939848)
Show SMILES CCn1ccc(c1)N1C[C@H](CO)OC1=O |r|
Show InChI InChI=1S/C10H14N2O3/c1-2-11-4-3-8(5-11)12-6-9(7-13)15-10(12)14/h3-5,9,13H,2,6-7H2,1H3/t9-/m1/s1
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300n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50273565
PNG
(CHEMBL447043 | N-(1H-Indol-2-ylmethyl)-N-phenylami...)
Show SMILES C(Nc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H14N2/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h1-10,16-17H,11H2
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320n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50476108
PNG
(CHEMBL217916)
Show SMILES Cc1csc(\N=C\c2ccccc2C)n1
Show InChI InChI=1S/C12H12N2S/c1-9-5-3-4-6-11(9)7-13-12-14-10(2)8-15-12/h3-8H,1-2H3/b13-7+
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331n/an/an/an/an/an/an/an/a



Universit?? degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAOB


J Med Chem 50: 707-12 (2007)


Article DOI: 10.1021/jm060869d
BindingDB Entry DOI: 10.7270/Q23J3GQD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM11009
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES NC(=S)N1N=C(CC1c1ccco1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C14H12FN3OS/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-19-13)18(17-11)14(16)20/h1-7,12H,8H2,(H2,16,20)
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370 -9.15n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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
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