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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50007758   
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


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512369
PNG
(CHEMBL4537471)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1
Show InChI InChI=1S/C17H19NO5/c1-21-13-3-2-12-10-14(17(20)23-16(12)11-13)15(19)4-5-18-6-8-22-9-7-18/h2-3,10-11H,4-9H2,1H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512379
PNG
(CHEMBL4554567)
Show SMILES Cl.CN(C)CCC(=O)c1cc2c(C)cc(O)cc2oc1=O
Show InChI InChI=1S/C15H17NO4/c1-9-6-10(17)7-14-11(9)8-12(15(19)20-14)13(18)4-5-16(2)3/h6-8,17H,4-5H2,1-3H3
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n/an/a 3.66E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512369
PNG
(CHEMBL4537471)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1
Show InChI InChI=1S/C17H19NO5/c1-21-13-3-2-12-10-14(17(20)23-16(12)11-13)15(19)4-5-18-6-8-22-9-7-18/h2-3,10-11H,4-9H2,1H3
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n/an/a 4.62E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512368
PNG
(CHEMBL4466943)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN(C)C)c(=O)oc2c1
Show InChI InChI=1S/C15H17NO4/c1-16(2)7-6-13(17)12-8-10-4-5-11(19-3)9-14(10)20-15(12)18/h4-5,8-9H,6-7H2,1-3H3
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n/an/a 7.63E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512378
PNG
(CHEMBL4571403)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
Show InChI InChI=1S/C18H21NO4/c1-22-14-6-5-13-11-15(18(21)23-17(13)12-14)16(20)7-10-19-8-3-2-4-9-19/h5-6,11-12H,2-4,7-10H2,1H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512374
PNG
(CHEMBL4439360)
Show SMILES Cl.Oc1c(Br)cc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1Br
Show InChI InChI=1S/C16H15Br2NO5/c17-11-8-9-7-10(16(22)24-15(9)13(18)14(11)21)12(20)1-2-19-3-5-23-6-4-19/h7-8,21H,1-6H2
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n/an/a 1.41E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512375
PNG
(CHEMBL4463853)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
Show InChI InChI=1S/C17H19NO4/c1-21-13-5-4-12-10-14(17(20)22-16(12)11-13)15(19)6-9-18-7-2-3-8-18/h4-5,10-11H,2-3,6-9H2,1H3
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n/an/a 1.81E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512378
PNG
(CHEMBL4571403)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
Show InChI InChI=1S/C18H21NO4/c1-22-14-6-5-13-11-15(18(21)23-17(13)12-14)16(20)7-10-19-8-3-2-4-9-19/h5-6,11-12H,2-4,7-10H2,1H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512368
PNG
(CHEMBL4466943)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN(C)C)c(=O)oc2c1
Show InChI InChI=1S/C15H17NO4/c1-16(2)7-6-13(17)12-8-10-4-5-11(19-3)9-14(10)20-15(12)18/h4-5,8-9H,6-7H2,1-3H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512374
PNG
(CHEMBL4439360)
Show SMILES Cl.Oc1c(Br)cc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1Br
Show InChI InChI=1S/C16H15Br2NO5/c17-11-8-9-7-10(16(22)24-15(9)13(18)14(11)21)12(20)1-2-19-3-5-23-6-4-19/h7-8,21H,1-6H2
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n/an/a 3.41E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512371
PNG
(CHEMBL4474002)
Show SMILES Cl.Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C17H19NO5/c1-11-8-12(19)9-16-13(11)10-14(17(21)23-16)15(20)2-3-18-4-6-22-7-5-18/h8-10,19H,2-7H2,1H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512367
PNG
(CHEMBL4525381)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
Show InChI InChI=1S/C23H24N2O4/c26-19-7-6-18-14-20(23(28)29-22(18)15-19)21(27)8-9-24-10-12-25(13-11-24)16-17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2
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n/an/a 4.11E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512373
PNG
(CHEMBL4550005)
Show SMILES Cl.Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCC1
Show InChI InChI=1S/C17H19NO4/c1-11-8-12(19)9-16-13(11)10-14(17(21)22-16)15(20)4-7-18-5-2-3-6-18/h8-10,19H,2-7H2,1H3
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n/an/a 4.37E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512375
PNG
(CHEMBL4463853)
Show SMILES Cl.COc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
Show InChI InChI=1S/C17H19NO4/c1-21-13-5-4-12-10-14(17(20)22-16(12)11-13)15(19)6-9-18-7-2-3-8-18/h4-5,10-11H,2-3,6-9H2,1H3
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n/an/a 5.31E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512364
PNG
(CHEMBL4466838)
Show SMILES Cl.CN(C)CCC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C14H15NO4/c1-15(2)6-5-12(17)11-7-9-3-4-10(16)8-13(9)19-14(11)18/h3-4,7-8,16H,5-6H2,1-2H3
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n/an/a 7.14E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512372
PNG
(CHEMBL4543997)
Show SMILES Cl.CCN(CC)CCC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C16H19NO4/c1-3-17(4-2)8-7-14(19)13-9-11-5-6-12(18)10-15(11)21-16(13)20/h5-6,9-10,18H,3-4,7-8H2,1-2H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512372
PNG
(CHEMBL4543997)
Show SMILES Cl.CCN(CC)CCC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C16H19NO4/c1-3-17(4-2)8-7-14(19)13-9-11-5-6-12(18)10-15(11)21-16(13)20/h5-6,9-10,18H,3-4,7-8H2,1-2H3
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n/an/a 9.40E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512371
PNG
(CHEMBL4474002)
Show SMILES Cl.Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C17H19NO5/c1-11-8-12(19)9-16-13(11)10-14(17(21)23-16)15(20)2-3-18-4-6-22-7-5-18/h8-10,19H,2-7H2,1H3
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n/an/a 9.85E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512367
PNG
(CHEMBL4525381)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
Show InChI InChI=1S/C23H24N2O4/c26-19-7-6-18-14-20(23(28)29-22(18)15-19)21(27)8-9-24-10-12-25(13-11-24)16-17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2
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n/an/a 1.08E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512364
PNG
(CHEMBL4466838)
Show SMILES Cl.CN(C)CCC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C14H15NO4/c1-15(2)6-5-12(17)11-7-9-3-4-10(16)8-13(9)19-14(11)18/h3-4,7-8,16H,5-6H2,1-2H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512377
PNG
(CHEMBL4475218)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1
Show InChI InChI=1S/C16H17NO5/c18-12-2-1-11-9-13(16(20)22-15(11)10-12)14(19)3-4-17-5-7-21-8-6-17/h1-2,9-10,18H,3-8H2
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n/an/a 1.11E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512376
PNG
(CHEMBL4467621)
Show SMILES Cl.Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCCC1
Show InChI InChI=1S/C18H21NO4/c1-12-9-13(20)10-17-14(12)11-15(18(22)23-17)16(21)5-8-19-6-3-2-4-7-19/h9-11,20H,2-8H2,1H3
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n/an/a 1.19E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512376
PNG
(CHEMBL4467621)
Show SMILES Cl.Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCCC1
Show InChI InChI=1S/C18H21NO4/c1-12-9-13(20)10-17-14(12)11-15(18(22)23-17)16(21)5-8-19-6-3-2-4-7-19/h9-11,20H,2-8H2,1H3
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n/an/a 1.36E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512377
PNG
(CHEMBL4475218)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1
Show InChI InChI=1S/C16H17NO5/c18-12-2-1-11-9-13(16(20)22-15(11)10-12)14(19)3-4-17-5-7-21-8-6-17/h1-2,9-10,18H,3-8H2
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n/an/a 1.51E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512370
PNG
(CHEMBL4546398)
Show SMILES Cl.Oc1c(Br)cc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1Br
Show InChI InChI=1S/C16H15Br2NO4/c17-11-8-9-7-10(12(20)3-6-19-4-1-2-5-19)16(22)23-15(9)13(18)14(11)21/h7-8,21H,1-6H2
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n/an/a 1.55E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512373
PNG
(CHEMBL4550005)
Show SMILES Cl.Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCC1
Show InChI InChI=1S/C17H19NO4/c1-11-8-12(19)9-16-13(11)10-14(17(21)22-16)15(20)4-7-18-5-2-3-6-18/h8-10,19H,2-7H2,1H3
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n/an/a 1.73E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512363
PNG
(CHEMBL4541683)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
Show InChI InChI=1S/C17H19NO4/c19-13-5-4-12-10-14(17(21)22-16(12)11-13)15(20)6-9-18-7-2-1-3-8-18/h4-5,10-11,19H,1-3,6-9H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512363
PNG
(CHEMBL4541683)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
Show InChI InChI=1S/C17H19NO4/c19-13-5-4-12-10-14(17(21)22-16(12)11-13)15(20)6-9-18-7-2-1-3-8-18/h4-5,10-11,19H,1-3,6-9H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512366
PNG
(CHEMBL4463260)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
Show InChI InChI=1S/C16H17NO4/c18-12-4-3-11-9-13(16(20)21-15(11)10-12)14(19)5-8-17-6-1-2-7-17/h3-4,9-10,18H,1-2,5-8H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512379
PNG
(CHEMBL4554567)
Show SMILES Cl.CN(C)CCC(=O)c1cc2c(C)cc(O)cc2oc1=O
Show InChI InChI=1S/C15H17NO4/c1-9-6-10(17)7-14-11(9)8-12(15(19)20-14)13(18)4-5-16(2)3/h6-8,17H,4-5H2,1-3H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512370
PNG
(CHEMBL4546398)
Show SMILES Cl.Oc1c(Br)cc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1Br
Show InChI InChI=1S/C16H15Br2NO4/c17-11-8-9-7-10(12(20)3-6-19-4-1-2-5-19)16(22)23-15(9)13(18)14(11)21/h7-8,21H,1-6H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512366
PNG
(CHEMBL4463260)
Show SMILES Cl.Oc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
Show InChI InChI=1S/C16H17NO4/c18-12-4-3-11-9-13(16(20)21-15(11)10-12)14(19)5-8-17-6-1-2-7-17/h3-4,9-10,18H,1-2,5-8H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50512365
PNG
(CHEMBL4438112)
Show SMILES Cl.CN(C)CCC(=O)c1cc2cc(Br)c(O)c(Br)c2oc1=O
Show InChI InChI=1S/C14H13Br2NO4/c1-17(2)4-3-10(18)8-5-7-6-9(15)12(19)11(16)13(7)21-14(8)20/h5-6,19H,3-4H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50512365
PNG
(CHEMBL4438112)
Show SMILES Cl.CN(C)CCC(=O)c1cc2cc(Br)c(O)c(Br)c2oc1=O
Show InChI InChI=1S/C14H13Br2NO4/c1-17(2)4-3-10(18)8-5-7-6-9(15)12(19)11(16)13(7)21-14(8)20/h5-6,19H,3-4H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins follo...


Eur J Med Chem 173: 203-212 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.016
BindingDB Entry DOI: 10.7270/Q2BC42V2
More data for this
Ligand-Target Pair