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Compile Data Set for Download or QSAR

Found 87 hits Enz. Inhib. hit(s) with all data for entry = 50004905   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029815
PNG
(3-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-propionit...)
Show SMILES N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H15N5O/c18-11-4-12-22-20-17(19-21-22)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 2n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029834
PNG
(5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...)
Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2
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n/an/a 4.60n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029825
PNG
(3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...)
Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 4.60n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029838
PNG
(3-[5-(4-Benzyloxy-phenyl)-2-thioxo-[1,3,4]oxadiazo...)
Show SMILES S=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O2S/c19-11-4-12-21-18(24)23-17(20-21)15-7-9-16(10-8-15)22-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 4.60n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a 30n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029821
PNG
(3-{5-[4-(2-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Clc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C17H14ClN5O/c18-16-5-2-1-4-14(16)12-24-15-8-6-13(7-9-15)17-20-22-23(21-17)11-3-10-19/h1-2,4-9H,3,11-12H2
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n/an/a 30n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029810
PNG
(2-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-ethanol |...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H16N4O2/c21-11-10-20-18-16(17-19-20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2
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n/an/a 30n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029824
PNG
(3-{5-[4-(4-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Clc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
Show InChI InChI=1S/C17H14ClN5O/c18-15-6-2-13(3-7-15)12-24-16-8-4-14(5-9-16)17-20-22-23(21-17)11-1-10-19/h2-9H,1,11-12H2
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n/an/a 80n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029835
PNG
(3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Clc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
Show InChI InChI=1S/C17H14ClN5O/c18-15-4-1-3-13(11-15)12-24-16-7-5-14(6-8-16)17-20-22-23(21-17)10-2-9-19/h1,3-8,11H,2,10,12H2
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n/an/a 100n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029837
PNG
(3-{5-[4-(2-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Cc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C18H17N5O/c1-14-5-2-3-6-16(14)13-24-17-9-7-15(8-10-17)18-20-22-23(21-18)12-4-11-19/h2-3,5-10H,4,12-13H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029809
PNG
(3-{5-[4-(3-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Cc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
Show InChI InChI=1S/C18H17N5O/c1-14-4-2-5-15(12-14)13-24-17-8-6-16(7-9-17)18-20-22-23(21-18)11-3-10-19/h2,4-9,12H,3,11,13H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029819
PNG
(2-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H15ClN4O2/c17-14-3-1-2-12(10-14)11-23-15-6-4-13(5-7-15)16-18-20-21(19-16)8-9-22/h1-7,10,22H,8-9,11H2
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n/an/a 200n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029803
PNG
(3-{5-[4-(4-Fluoro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Fc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
Show InChI InChI=1S/C17H14FN5O/c18-15-6-2-13(3-7-15)12-24-16-8-4-14(5-9-16)17-20-22-23(21-17)11-1-10-19/h2-9H,1,11-12H2
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n/an/a 210n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029808
PNG
(2-{5-[4-(4-Fluoro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H15FN4O2/c17-14-5-1-12(2-6-14)11-23-15-7-3-13(4-8-15)16-18-20-21(19-16)9-10-22/h1-8,22H,9-11H2
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n/an/a 270n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029814
PNG
(2-{5-[4-(2-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Cc1ccccc1COc1ccc(cc1)-c1nnn(CCO)n1
Show InChI InChI=1S/C17H18N4O2/c1-13-4-2-3-5-15(13)12-23-16-8-6-14(7-9-16)17-18-20-21(19-17)10-11-22/h2-9,22H,10-12H2,1H3
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n/an/a 290n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029805
PNG
(2-{5-[4-(3-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Cc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
Show InChI InChI=1S/C17H18N4O2/c1-13-3-2-4-14(11-13)12-23-16-7-5-15(6-8-16)17-18-20-21(19-17)9-10-22/h2-8,11,22H,9-10,12H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029820
PNG
(2-{5-[4-(4-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN4O2/c17-14-5-1-12(2-6-14)11-23-15-7-3-13(4-8-15)16-18-20-21(19-16)9-10-22/h1-8,22H,9-11H2
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n/an/a 320n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029794
PNG
(2-{5-[4-(2-Iodo-benzyloxy)-phenyl]-tetrazol-2-yl}-...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2ccccc2I)cc1
Show InChI InChI=1S/C16H15IN4O2/c17-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-18-20-21(19-16)9-10-22/h1-8,22H,9-11H2
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n/an/a 350n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029836
PNG
(3-{5-[4-(3-Methoxy-benzyloxy)-phenyl]-tetrazol-2-y...)
Show SMILES COc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
Show InChI InChI=1S/C18H17N5O2/c1-24-17-5-2-4-14(12-17)13-25-16-8-6-15(7-9-16)18-20-22-23(21-18)11-3-10-19/h2,4-9,12H,3,11,13H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029823
PNG
(3-{5-[4-(4-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Cc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
Show InChI InChI=1S/C18H17N5O/c1-14-3-5-15(6-4-14)13-24-17-9-7-16(8-10-17)18-20-22-23(21-18)12-2-11-19/h3-10H,2,12-13H2,1H3
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n/an/a 570n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029802
PNG
(2-{5-[4-(3-Methoxy-benzyloxy)-phenyl]-tetrazol-2-y...)
Show SMILES COc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
Show InChI InChI=1S/C17H18N4O3/c1-23-16-4-2-3-13(11-16)12-24-15-7-5-14(6-8-15)17-18-20-21(19-17)9-10-22/h2-8,11,22H,9-10,12H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029798
PNG
(3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile | ...)
Show SMILES N#CCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13N5/c17-11-4-12-21-19-16(18-20-21)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2
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n/an/a 840n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029831
PNG
(2-(5-Biphenyl-4-yl-tetrazol-2-yl)-ethanol | CHEMBL...)
Show SMILES OCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14N4O/c20-11-10-19-17-15(16-18-19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,20H,10-11H2
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n/an/a 960n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029832
PNG
(4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butyronitrile | ...)
Show SMILES N#CCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H15N5/c18-12-4-5-13-22-20-17(19-21-22)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,13H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029812
PNG
(3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propan-1-ol | CH...)
Show SMILES OCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N4O/c21-12-4-11-20-18-16(17-19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,21H,4,11-12H2
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n/an/a 1.36E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029827
PNG
(3-{5-[4-(4-Methoxy-benzyloxy)-phenyl]-tetrazol-2-y...)
Show SMILES COc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
Show InChI InChI=1S/C18H17N5O2/c1-24-16-7-3-14(4-8-16)13-25-17-9-5-15(6-10-17)18-20-22-23(21-18)12-2-11-19/h3-10H,2,12-13H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029800
PNG
(3-[5-(4-Chloro-phenyl)-tetrazol-2-yl]-propionitril...)
Show SMILES Clc1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C10H8ClN5/c11-9-4-2-8(3-5-9)10-13-15-16(14-10)7-1-6-12/h2-5H,1,7H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029812
PNG
(3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propan-1-ol | CH...)
Show SMILES OCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N4O/c21-12-4-11-20-18-16(17-19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,21H,4,11-12H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029801
PNG
(2-{5-[4-(4-Methoxy-benzyloxy)-phenyl]-tetrazol-2-y...)
Show SMILES COc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
Show InChI InChI=1S/C17H18N4O3/c1-23-15-6-2-13(3-7-15)12-24-16-8-4-14(5-9-16)17-18-20-21(19-17)10-11-22/h2-9,22H,10-12H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029829
PNG
(7-(5-Biphenyl-4-yl-tetrazol-2-yl)-heptanenitrile |...)
Show SMILES N#CCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21N5/c21-15-7-2-1-3-8-16-25-23-20(22-24-25)19-13-11-18(12-14-19)17-9-5-4-6-10-17/h4-6,9-14H,1-3,7-8,16H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029804
PNG
(5-(5-Biphenyl-4-yl-tetrazol-2-yl)-pentanenitrile |...)
Show SMILES N#CCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N5/c19-13-5-2-6-14-23-21-18(20-22-23)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,14H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029800
PNG
(3-[5-(4-Chloro-phenyl)-tetrazol-2-yl]-propionitril...)
Show SMILES Clc1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C10H8ClN5/c11-9-4-2-8(3-5-9)10-13-15-16(14-10)7-1-6-12/h2-5H,1,7H2
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n/an/a 6.50E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029798
PNG
(3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile | ...)
Show SMILES N#CCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13N5/c17-11-4-12-21-19-16(18-20-21)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2
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n/an/a 7.80E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029828
PNG
(2-{5-[4-(4-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Cc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
Show InChI InChI=1S/C17H18N4O2/c1-13-2-4-14(5-3-13)12-23-16-8-6-15(7-9-16)17-18-20-21(19-17)10-11-22/h2-9,22H,10-12H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029795
PNG
(2-{5-[4-(2-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C16H15ClN4O2/c17-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-18-20-21(19-16)9-10-22/h1-8,22H,9-11H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029833
PNG
(4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butan-1-ol | CHE...)
Show SMILES OCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H18N4O/c22-13-5-4-12-21-19-17(18-20-21)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,22H,4-5,12-13H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029832
PNG
(4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butyronitrile | ...)
Show SMILES N#CCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H15N5/c18-12-4-5-13-22-20-17(19-21-22)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,13H2
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n/an/a 9.60E+3n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029831
PNG
(2-(5-Biphenyl-4-yl-tetrazol-2-yl)-ethanol | CHEMBL...)
Show SMILES OCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14N4O/c20-11-10-19-17-15(16-18-19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,20H,10-11H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029833
PNG
(4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butan-1-ol | CHE...)
Show SMILES OCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H18N4O/c22-13-5-4-12-21-19-17(18-20-21)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,22H,4-5,12-13H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029811
PNG
(3-[5-(4-Nitro-phenyl)-tetrazol-2-yl]-propionitrile...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C10H8N6O2/c11-6-1-7-15-13-10(12-14-15)8-2-4-9(5-3-8)16(17)18/h2-5H,1,7H2
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n/an/a 1.34E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029806
PNG
(6-(5-Biphenyl-4-yl-tetrazol-2-yl)-hexan-1-ol | CHE...)
Show SMILES OCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H22N4O/c24-15-7-2-1-6-14-23-21-19(20-22-23)18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,24H,1-2,6-7,14-15H2
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n/an/a 1.64E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029826
PNG
(3-[5-(4-Methoxy-phenyl)-tetrazol-2-yl]-propionitri...)
Show SMILES COc1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C11H11N5O/c1-17-10-5-3-9(4-6-10)11-13-15-16(14-11)8-2-7-12/h3-6H,2,8H2,1H3
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n/an/a 1.66E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029811
PNG
(3-[5-(4-Nitro-phenyl)-tetrazol-2-yl]-propionitrile...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C10H8N6O2/c11-6-1-7-15-13-10(12-14-15)8-2-4-9(5-3-8)16(17)18/h2-5H,1,7H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029804
PNG
(5-(5-Biphenyl-4-yl-tetrazol-2-yl)-pentanenitrile |...)
Show SMILES N#CCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N5/c19-13-5-2-6-14-23-21-18(20-22-23)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,14H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029797
PNG
(3-(5-Pyridin-4-yl-tetrazol-2-yl)-propionitrile | C...)
Show SMILES N#CCCn1nnc(n1)-c1ccncc1
Show InChI InChI=1S/C9H8N6/c10-4-1-7-15-13-9(12-14-15)8-2-5-11-6-3-8/h2-3,5-6H,1,7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029826
PNG
(3-[5-(4-Methoxy-phenyl)-tetrazol-2-yl]-propionitri...)
Show SMILES COc1ccc(cc1)-c1nnn(CCC#N)n1
Show InChI InChI=1S/C11H11N5O/c1-17-10-5-3-9(4-6-10)11-13-15-16(14-11)8-2-7-12/h3-6H,2,8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50029807
PNG
(2-[5-(4-Chloro-phenyl)-tetrazol-2-yl]-ethanol | CH...)
Show SMILES OCCn1nnc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C9H9ClN4O/c10-8-3-1-7(2-4-8)9-11-13-14(12-9)5-6-15/h1-4,15H,5-6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50029813
PNG
(2-[5-(4-Methoxy-phenyl)-tetrazol-2-yl]-ethanol | C...)
Show SMILES COc1ccc(cc1)-c1nnn(CCO)n1
Show InChI InChI=1S/C10H12N4O2/c1-16-9-4-2-8(3-5-9)10-11-13-14(12-10)6-7-15/h2-5,15H,6-7H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


J Med Chem 38: 4786-92 (1996)


BindingDB Entry DOI: 10.7270/Q2T72GFV
More data for this
Ligand-Target Pair
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