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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'abarbri' and Initial = 'm'   
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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50363762
PNG
(CHEMBL1947088)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F |r,THB:19:18:4.10.9:7.6|
Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)16-9-15-7-8-17(18(16)19(26)27-2)25(15)11-14(24)10-20(21,22)23/h3-6,10,15-18H,7-9,11H2,1-2H3/b14-10-/t15-,16+,17+,18-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50296782
PNG
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1
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17n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556656
PNG
(CHEMBL4759301)
Show SMILES CSc1ccc(cc1)-c1cnc2c3ccccc3nn2c1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using varying level of p-tyramine as su...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556660
PNG
(CHEMBL4758739)
Show SMILES COc1ccc(cc1)-c1cnc2c3c(F)cccc3nn2c1
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using varying level of p-tyramine as su...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556664
PNG
(CHEMBL4746352)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc2c3cccnc3nn2c1
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77n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using varying level of p-tyramine as su...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556671
PNG
(CHEMBL4757484)
Show SMILES COc1ccc(cc1)-c1cnc2c3ncccc3nn2c1
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107n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using varying level of p-tyramine as su...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50363761
PNG
(CHEMBL1947087)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C(/I)C(F)(F)F |r,THB:19:18:4.10.9:7.6|
Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)15-11-14-7-8-16(18(15)19(26)27-2)25(14)10-9-17(24)20(21,22)23/h3-6,9,14-16,18H,7-8,10-11H2,1-2H3/b17-9-/t14-,15+,16+,18-/m0/s1
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116n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50363762
PNG
(CHEMBL1947088)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F |r,THB:19:18:4.10.9:7.6|
Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)16-9-15-7-8-17(18(16)19(26)27-2)25(15)11-14(24)10-20(21,22)23/h3-6,10,15-18H,7-9,11H2,1-2H3/b14-10-/t15-,16+,17+,18-/m0/s1
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188n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human cloned NET receptor expressed in HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50363761
PNG
(CHEMBL1947087)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C(/I)C(F)(F)F |r,THB:19:18:4.10.9:7.6|
Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)15-11-14-7-8-16(18(15)19(26)27-2)25(14)10-9-17(24)20(21,22)23/h3-6,9,14-16,18H,7-8,10-11H2,1-2H3/b17-9-/t14-,15+,16+,18-/m0/s1
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251n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human cloned SERT receptor expressed in HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50363761
PNG
(CHEMBL1947087)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C(/I)C(F)(F)F |r,THB:19:18:4.10.9:7.6|
Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)15-11-14-7-8-16(18(15)19(26)27-2)25(14)10-9-17(24)20(21,22)23/h3-6,9,14-16,18H,7-8,10-11H2,1-2H3/b17-9-/t14-,15+,16+,18-/m0/s1
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426n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human cloned NET receptor expressed in HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50296782
PNG
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1
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>500n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human cloned NET receptor expressed in HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50363762
PNG
(CHEMBL1947088)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F |r,THB:19:18:4.10.9:7.6|
Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)16-9-15-7-8-17(18(16)19(26)27-2)25(15)11-14(24)10-20(21,22)23/h3-6,10,15-18H,7-9,11H2,1-2H3/b14-10-/t15-,16+,17+,18-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human cloned SERT receptor expressed in HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
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 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
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 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556660
PNG
(CHEMBL4758739)
Show SMILES COc1ccc(cc1)-c1cnc2c3c(F)cccc3nn2c1
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556656
PNG
(CHEMBL4759301)
Show SMILES CSc1ccc(cc1)-c1cnc2c3ccccc3nn2c1
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n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556664
PNG
(CHEMBL4746352)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc2c3cccnc3nn2c1
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556659
PNG
(CHEMBL4779904)
Show SMILES COc1ccc(cc1)-c1cnc2c3c(Cl)cccc3nn2c1
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n/an/a 132n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556658
PNG
(CHEMBL4791844)
Show SMILES COc1ccc(cc1)-c1cnc2c3ccccc3nn2c1
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n/an/a 215n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556671
PNG
(CHEMBL4757484)
Show SMILES COc1ccc(cc1)-c1cnc2c3ncccc3nn2c1
PDB

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n/an/a 236n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556662
PNG
(CHEMBL4794759)
Show SMILES COc1cccc(c1)-c1cnc2c3cccnc3nn2c1
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n/an/a 397n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556657
PNG
(CHEMBL4744827)
Show SMILES Fc1ncccc1-c1cnc2c3ccccc3nn2c1
PDB

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n/an/a 648n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556663
PNG
(CHEMBL4753863)
Show SMILES COc1ccc(cc1)-c1cnc2c3cccnc3nn2c1
PDB

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n/an/a 818n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556665
PNG
(CHEMBL4780349)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cnc2c3cccnc3nn2c1
PDB

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n/an/a 822n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556670
PNG
(CHEMBL4748078)
Show SMILES C(=C/c1cnc2c3cccnc3nn2c1)\c1ccccc1
PDB

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n/an/a 837n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556667
PNG
(CHEMBL4760176)
Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2c3cccnc3nn2c1
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556652
PNG
(CHEMBL4783092)
Show SMILES FC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21
PDB

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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556674
PNG
(CHEMBL4753501)
Show SMILES COc1ccc(cc1)-c1cnc2c3nccnc3nn2c1
PDB

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n/an/a 1.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556661
PNG
(CHEMBL4795009)
Show SMILES COc1ccccc1-c1cnc2c3cccnc3nn2c1
PDB

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n/an/a 3.79E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556669
PNG
(CHEMBL4763130)
Show SMILES c1csc(c1)-c1cnc2c3cccnc3nn2c1
PDB

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n/an/a 4.48E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556666
PNG
(CHEMBL4752356)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc2c3cccnc3nn2c1
PDB

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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 1.36E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556673
PNG
(CHEMBL4778686)
Show SMILES c1cc(cs1)-c1cnc2c3ncccc3nn2c1
PDB

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n/an/a 1.48E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556657
PNG
(CHEMBL4744827)
Show SMILES Fc1ncccc1-c1cnc2c3ccccc3nn2c1
PDB

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n/an/a 2.11E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
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
PDB

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n/an/a 2.95E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556672
PNG
(CHEMBL4785345)
Show SMILES c1ccc(cc1)-c1cnc2c3ncccc3nn2c1
PDB

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n/an/a 8.83E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50556675
PNG
(CHEMBL4750291)
Show SMILES CCOC(=O)c1ccccc1-c1cnc2c3nccnc3nn2c1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556647
PNG
(CHEMBL4776405)
Show SMILES Clc1cccc2nn3cc(Br)cnc3c12
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556648
PNG
(CHEMBL4749504)
Show SMILES Fc1cccc2nn3cc(Br)cnc3c12
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556649
PNG
(CHEMBL4750851)
Show SMILES Brc1ccc2nn3cc(Br)cnc3c2c1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556650
PNG
(CHEMBL4746955)
Show SMILES [O-][N+](=O)c1ccc2nn3cc(Br)cnc3c2c1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556651
PNG
(CHEMBL4754874)
Show SMILES Brc1ccc2c(c1)nn1cc(Br)cnc21
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556652
PNG
(CHEMBL4783092)
Show SMILES FC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556653
PNG
(CHEMBL4746018)
Show SMILES Brc1cnc2c3ncccc3nn2c1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556654
PNG
(CHEMBL4748333)
Show SMILES Brc1cnc2c3cccnc3nn2c1
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556655
PNG
(CHEMBL4796620)
Show SMILES Brc1cnc2c3nccnc3nn2c1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50556656
PNG
(CHEMBL4759301)
Show SMILES CSc1ccc(cc1)-c1cnc2c3ccccc3nn2c1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112911
BindingDB Entry DOI: 10.7270/Q2RR22XQ
More data for this
Ligand-Target Pair
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