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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'morón' and Initial = 'ja'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
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0.300n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
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0.75n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087796
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...)
Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1
Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3
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0.800n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087791
PNG
(But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087801
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1
Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3
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1.5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
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3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087803
PNG
(1-Methyl-2-[(methyl-prop-2-ynyl-amino)-methyl]-1H-...)
Show SMILES CN(CC#C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3
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4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087796
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...)
Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1
Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3
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4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087794
PNG
(But-2-ynyl-methyl-(1-methyl-1H-indol-2-ylmethyl)-a...)
Show SMILES CC#CCN(C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h6-9,11H,10,12H2,1-3H3
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4.30n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087790
PNG
(2-[(But-2-ynyl-methyl-amino)-methyl]-1-methyl-1H-i...)
Show SMILES CC#CCN(C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3
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5.70n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087807
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-but-2-ynyl-amine...)
Show SMILES CC#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H20N2O/c1-2-3-11-21-14-18-12-17-13-19(9-10-20(17)22-18)23-15-16-7-5-4-6-8-16/h4-10,12-13,21-22H,11,14-15H2,1H3
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15n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087801
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1
Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3
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30n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087794
PNG
(But-2-ynyl-methyl-(1-methyl-1H-indol-2-ylmethyl)-a...)
Show SMILES CC#CCN(C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h6-9,11H,10,12H2,1-3H3
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30n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087804
PNG
((1-Methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-amine |...)
Show SMILES Cn1c(CNCC#C)cc2ccccc12
Show InChI InChI=1S/C13H14N2/c1-3-8-14-10-12-9-11-6-4-5-7-13(11)15(12)2/h1,4-7,9,14H,8,10H2,2H3
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240n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087791
PNG
(But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3
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370n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
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790n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087803
PNG
(1-Methyl-2-[(methyl-prop-2-ynyl-amino)-methyl]-1H-...)
Show SMILES CN(CC#C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3
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820n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087804
PNG
((1-Methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-amine |...)
Show SMILES Cn1c(CNCC#C)cc2ccccc12
Show InChI InChI=1S/C13H14N2/c1-3-8-14-10-12-9-11-6-4-5-7-13(11)15(12)2/h1,4-7,9,14H,8,10H2,2H3
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3.83E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087795
PNG
(1-Methyl-2-prop-2-ynylaminomethyl-1H-indol-5-ol (F...)
Show SMILES Cn1c(CNCC#C)cc2cc(O)ccc12
Show InChI InChI=1S/C13H14N2O/c1-3-6-14-9-11-7-10-8-12(16)4-5-13(10)15(11)2/h1,4-5,7-8,14,16H,6,9H2,2H3
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4.00E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087807
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-but-2-ynyl-amine...)
Show SMILES CC#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H20N2O/c1-2-3-11-21-14-18-12-17-13-19(9-10-20(17)22-18)23-15-16-7-5-4-6-8-16/h4-10,12-13,21-22H,11,14-15H2,1H3
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5.25E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087790
PNG
(2-[(But-2-ynyl-methyl-amino)-methyl]-1-methyl-1H-i...)
Show SMILES CC#CCN(C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3
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8.80E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087795
PNG
(1-Methyl-2-prop-2-ynylaminomethyl-1H-indol-5-ol (F...)
Show SMILES Cn1c(CNCC#C)cc2cc(O)ccc12
Show InChI InChI=1S/C13H14N2O/c1-3-6-14-9-11-7-10-8-12(16)4-5-13(10)15(11)2/h1,4-5,7-8,14,16H,6,9H2,2H3
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8.90E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087802
PNG
(Benzyl-(1-methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-...)
Show SMILES Cn1c(CN(CC#C)Cc2ccccc2)cc2ccccc12
Show InChI InChI=1S/C20H20N2/c1-3-13-22(15-17-9-5-4-6-10-17)16-19-14-18-11-7-8-12-20(18)21(19)2/h1,4-12,14H,13,15-16H2,2H3
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1.00E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087808
PNG
(Benzyl-(1-methyl-1H-indol-2-ylmethyl)-amine (FA25)...)
Show SMILES Cn1c(CNCc2ccccc2)cc2ccccc12
Show InChI InChI=1S/C17H18N2/c1-19-16(11-15-9-5-6-10-17(15)19)13-18-12-14-7-3-2-4-8-14/h2-11,18H,12-13H2,1H3
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3.40E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087808
PNG
(Benzyl-(1-methyl-1H-indol-2-ylmethyl)-amine (FA25)...)
Show SMILES Cn1c(CNCc2ccccc2)cc2ccccc12
Show InChI InChI=1S/C17H18N2/c1-19-16(11-15-9-5-6-10-17(15)19)13-18-12-14-7-3-2-4-8-14/h2-11,18H,12-13H2,1H3
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4.80E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087797
PNG
(Benzyl-but-2-ynyl-(1-methyl-1H-indol-2-ylmethyl)-a...)
Show SMILES CC#CCN(Cc1cc2ccccc2n1C)Cc1ccccc1
Show InChI InChI=1S/C21H22N2/c1-3-4-14-23(16-18-10-6-5-7-11-18)17-20-15-19-12-8-9-13-21(19)22(20)2/h5-13,15H,14,16-17H2,1-2H3
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5.00E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087802
PNG
(Benzyl-(1-methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-...)
Show SMILES Cn1c(CN(CC#C)Cc2ccccc2)cc2ccccc12
Show InChI InChI=1S/C20H20N2/c1-3-13-22(15-17-9-5-4-6-10-17)16-19-14-18-11-7-8-12-20(18)21(19)2/h1,4-12,14H,13,15-16H2,2H3
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6.00E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087789
PNG
(Benzyl-(1H-indol-2-ylmethyl)-amine (FA4) | CHEMBL4...)
Show SMILES C(NCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H16N2/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h1-10,17-18H,11-12H2
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8.70E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087806
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-isopropyl-amine | C...)
Show SMILES CC(C)NCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-15(2)20-12-17-14-21(13-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,14-15,20H,12-13H2,1-2H3
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1.33E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087789
PNG
(Benzyl-(1H-indol-2-ylmethyl)-amine (FA4) | CHEMBL4...)
Show SMILES C(NCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H16N2/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h1-10,17-18H,11-12H2
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1.59E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087805
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-methyl-prop-2-ynyl-...)
Show SMILES CN(CC#C)Cc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H20N2/c1-3-13-21(2)15-18-16-22(14-17-9-5-4-6-10-17)20-12-8-7-11-19(18)20/h1,4-12,16H,13-15H2,2H3
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1.60E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087792
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-methyl-amine | CHEM...)
Show SMILES CNCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H18N2/c1-18-11-15-13-19(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13,18H,11-12H2,1H3
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1.67E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087799
PNG
(Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-amine (FA207...)
Show SMILES C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H22N2/c1-3-9-19(10-4-1)15-24-16-21-18-25(17-20-11-5-2-6-12-20)23-14-8-7-13-22(21)23/h1-14,18,24H,15-17H2
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2.44E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087798
PNG
(Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-prop-2-ynyl-...)
Show SMILES C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C26H24N2/c1-2-17-27(18-22-11-5-3-6-12-22)20-24-21-28(19-23-13-7-4-8-14-23)26-16-10-9-15-25(24)26/h1,3-16,21H,17-20H2
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2.60E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087793
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-ethyl-amine | CHEMB...)
Show SMILES CCNCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H20N2/c1-2-19-12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-11,14,19H,2,12-13H2,1H3
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2.62E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087792
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-methyl-amine | CHEM...)
Show SMILES CNCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H18N2/c1-18-11-15-13-19(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13,18H,11-12H2,1H3
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3.38E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087799
PNG
(Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-amine (FA207...)
Show SMILES C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H22N2/c1-3-9-19(10-4-1)15-24-16-21-18-25(17-20-11-5-2-6-12-20)23-14-8-7-13-22(21)23/h1-14,18,24H,15-17H2
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3.62E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087793
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-ethyl-amine | CHEMB...)
Show SMILES CCNCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H20N2/c1-2-19-12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-11,14,19H,2,12-13H2,1H3
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4.29E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087806
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-isopropyl-amine | C...)
Show SMILES CC(C)NCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-15(2)20-12-17-14-21(13-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,14-15,20H,12-13H2,1-2H3
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4.38E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50087805
PNG
((1-Benzyl-1H-indol-3-ylmethyl)-methyl-prop-2-ynyl-...)
Show SMILES CN(CC#C)Cc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H20N2/c1-3-13-21(2)15-18-16-22(14-17-9-5-4-6-10-17)20-12-8-7-11-19(18)20/h1,4-12,16H,13-15H2,2H3
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4.76E+5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087797
PNG
(Benzyl-but-2-ynyl-(1-methyl-1H-indol-2-ylmethyl)-a...)
Show SMILES CC#CCN(Cc1cc2ccccc2n1C)Cc1ccccc1
Show InChI InChI=1S/C21H22N2/c1-3-4-14-23(16-18-10-6-5-7-11-18)17-20-15-19-12-8-9-13-21(19)22(20)2/h5-13,15H,14,16-17H2,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50087798
PNG
(Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-prop-2-ynyl-...)
Show SMILES C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C26H24N2/c1-2-17-27(18-22-11-5-3-6-12-22)20-24-21-28(19-23-13-7-4-8-14-23)26-16-10-9-15-25(24)26/h1,3-16,21H,17-20H2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair