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Compile Data Set for Download or QSAR

Found 229 hits with Last Name = 'yabanoglu' and Initial = 's'   
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


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate by Lineweaver-Burk...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048615
PNG
(CHEMBL3310028)
Show SMILES Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O2S/c1-13-3-5-15(6-4-13)7-12-18(16-8-10-17(25)11-9-16)22-23-20(26)19-14(2)21-24-27-19/h3-12,25H,1-2H3,(H,23,26)/b12-7+,22-18-
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10n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048606
PNG
(CHEMBL3310025)
Show SMILES Cc1nnsc1C(=O)N\N=C(\C=C\c1cccc(C)c1)/c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4OS/c1-13-4-3-5-15(12-13)6-11-18(16-7-9-17(21)10-8-16)23-24-20(26)19-14(2)22-25-27-19/h3-12H,1-2H3,(H,24,26)/b11-6+,23-18-
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10n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048613
PNG
(CHEMBL3310026)
Show SMILES COc1ccc(\C=C\C(=N\NC(=O)c2snnc2C)\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H17ClN4O2S/c1-13-19(28-25-22-13)20(26)24-23-18(15-6-8-16(21)9-7-15)12-5-14-3-10-17(27-2)11-4-14/h3-12H,1-2H3,(H,24,26)/b12-5+,23-18-
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12n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048603
PNG
(CHEMBL3310024)
Show SMILES Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4OS/c1-13-3-5-15(6-4-13)7-12-18(16-8-10-17(21)11-9-16)23-24-20(26)19-14(2)22-25-27-19/h3-12H,1-2H3,(H,24,26)/b12-7+,23-18-
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12n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048550
PNG
(CHEMBL3310005)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Cl)ccc1O |r,c:10|
Show InChI InChI=1S/C23H19ClN2O2/c1-15-7-9-16(10-8-15)21-14-20(19-13-18(24)11-12-22(19)27)25-26(21)23(28)17-5-3-2-4-6-17/h2-13,21,27H,14H2,1H3/t21-/m1/s1
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12n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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14n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493747
PNG
(CHEMBL2437021)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |t:8|
Show InChI InChI=1S/C22H17ClN2O3/c23-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)26)24-25(20)22(27)28-17-6-2-1-3-7-17/h1-13,20,26H,14H2
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30n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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30n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048598
PNG
(CHEMBL3310023)
Show SMILES Cc1ccc(\C=C\C(=N/NC(=O)c2cccs2)\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H17ClN2OS/c1-15-4-6-16(7-5-15)8-13-19(17-9-11-18(22)12-10-17)23-24-21(25)20-3-2-14-26-20/h2-14H,1H3,(H,24,25)/b13-8+,23-19+
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34n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048614
PNG
(CHEMBL3310027)
Show SMILES COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H21ClN2O3/c1-29-21-12-3-17(4-13-21)5-16-23(18-6-10-20(25)11-7-18)26-27-24(28)19-8-14-22(30-2)15-9-19/h3-16H,1-2H3,(H,27,28)/b16-5+,26-23+
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34n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048555
PNG
(CHEMBL3310015)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Br)ccc1O |r,c:10|
Show InChI InChI=1S/C23H19BrN2O2/c1-15-7-9-16(10-8-15)21-14-20(19-13-18(24)11-12-22(19)27)25-26(21)23(28)17-5-3-2-4-6-17/h2-13,21,27H,14H2,1H3/t21-/m1/s1
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40n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048616
PNG
(CHEMBL3310029)
Show SMILES COc1ccc(cc1)\C(\C=C\c1ccc(C)cc1)=N/NC(=O)c1snnc1C
Show InChI InChI=1S/C21H20N4O2S/c1-14-4-6-16(7-5-14)8-13-19(17-9-11-18(27-3)12-10-17)23-24-21(26)20-15(2)22-25-28-20/h4-13H,1-3H3,(H,24,26)/b13-8+,23-19-
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41n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048570
PNG
(CHEMBL3310021)
Show SMILES COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H21BrN2O3/c1-29-21-12-3-17(4-13-21)5-16-23(18-6-10-20(25)11-7-18)26-27-24(28)19-8-14-22(30-2)15-9-19/h3-16H,1-2H3,(H,27,28)/b16-5+,26-23+
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45n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347294
PNG
(CHEMBL1796449)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:10|
Show InChI InChI=1S/C23H21N3O2S/c1-28-20-13-9-18(10-14-20)24-23(29)26-22(17-7-11-19(27)12-8-17)15-21(25-26)16-5-3-2-4-6-16/h2-14,22,27H,15H2,1H3,(H,24,29)
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90n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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90n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048596
PNG
(CHEMBL3310022)
Show SMILES COc1ccc(\C=C\C(=N/NC(=O)c2ccco2)\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H17BrN2O3/c1-26-18-11-4-15(5-12-18)6-13-19(16-7-9-17(22)10-8-16)23-24-21(25)20-3-2-14-27-20/h2-14H,1H3,(H,24,25)/b13-6+,23-19+
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91n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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91n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347290
PNG
(CHEMBL1796445)
Show SMILES COc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:11|
Show InChI InChI=1S/C23H21N3O2S/c1-28-18-11-7-10-17(14-18)24-23(29)26-21(19-12-5-6-13-22(19)27)15-20(25-26)16-8-3-2-4-9-16/h2-14,21,27H,15H2,1H3,(H,24,29)
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100n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048542
PNG
(CHEMBL2005326)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C16H13BrO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
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100n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048549
PNG
(CHEMBL3309741)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccco1)c1cc(Cl)ccc1O |r,c:10|
Show InChI InChI=1S/C21H17ClN2O3/c1-13-4-6-14(7-5-13)18-12-17(16-11-15(22)8-9-19(16)25)23-24(18)21(26)20-3-2-10-27-20/h2-11,18,25H,12H2,1H3/t18-/m1/s1
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110n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347296
PNG
(CHEMBL1796451)
Show SMILES Cc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:10|
Show InChI InChI=1S/C23H21N3OS/c1-16-6-5-9-19(14-16)24-23(28)26-22(18-10-12-20(27)13-11-18)15-21(25-26)17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3,(H,24,28)
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130n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048562
PNG
(CHEMBL3310019)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1cccs1)c1cc(Br)ccc1O |r,c:10|
Show InChI InChI=1S/C21H17BrN2O2S/c1-13-4-6-14(7-5-13)18-12-17(16-11-15(22)8-9-19(16)25)23-24(18)21(26)20-3-2-10-27-20/h2-11,18,25H,12H2,1H3/t18-/m1/s1
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130n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048541
PNG
(CHEMBL3309737)
Show SMILES Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C16H13BrO2/c1-11-2-4-12(5-3-11)6-8-15(18)14-10-13(17)7-9-16(14)19/h2-10,19H,1H3/b8-6+
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130n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048540
PNG
(CHEMBL2297676)
Show SMILES Cc1ccc(\C=C\C(=O)c2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C16H13ClO2/c1-11-2-4-12(5-3-11)6-8-15(18)14-10-13(17)7-9-16(14)19/h2-10,19H,1H3/b8-6+
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140n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347305
PNG
(CHEMBL1796461)
Show SMILES NC(=N)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H15ClN4/c17-13-8-6-12(7-9-13)15-10-14(20-21(15)16(18)19)11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,18,19)
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150n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420209
PNG
(CHEMBL91153)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
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160n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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160n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048544
PNG
(CHEMBL3309738)
Show SMILES Cc1cccc(\C=C\C(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H13ClO/c1-12-3-2-4-13(11-12)5-10-16(18)14-6-8-15(17)9-7-14/h2-11H,1H3/b10-5+
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160n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347288
PNG
(CHEMBL1796443)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:10|
Show InChI InChI=1S/C23H21N3O2S/c1-28-18-13-11-17(12-14-18)24-23(29)26-21(19-9-5-6-10-22(19)27)15-20(25-26)16-7-3-2-4-8-16/h2-14,21,27H,15H2,1H3,(H,24,29)
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170n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048553
PNG
(CHEMBL3310011)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccncc1)c1cc(Br)ccc1O |r,c:10|
Show InChI InChI=1S/C22H18BrN3O2/c1-14-2-4-15(5-3-14)20-13-19(18-12-17(23)6-7-21(18)27)25-26(20)22(28)16-8-10-24-11-9-16/h2-12,20,27H,13H2,1H3/t20-/m1/s1
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180n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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200n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048552
PNG
(CHEMBL3310009)
Show SMILES Cc1nnsc1C(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1cc(Cl)ccc1O |r,c:10|
Show InChI InChI=1S/C20H17ClN4O2S/c1-11-3-5-13(6-4-11)17-10-16(15-9-14(21)7-8-18(15)26)23-25(17)20(27)19-12(2)22-24-28-19/h3-9,17,26H,10H2,1-2H3/t17-/m1/s1
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240n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048545
PNG
(CHEMBL374741)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
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240n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048543
PNG
(CHEMBL389840)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H13ClO/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(17)10-8-14/h2-11H,1H3/b11-6+
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240n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493742
PNG
(CHEMBL2437022)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:8|
Show InChI InChI=1S/C22H18N2O3/c25-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)24(23-19)22(26)27-17-11-5-2-6-12-17/h1-14,20,25H,15H2
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250n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347293
PNG
(CHEMBL1796448)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H21N3OS/c1-16-9-5-7-13-19(16)24-23(28)26-21(18-12-6-8-14-22(18)27)15-20(25-26)17-10-3-2-4-11-17/h2-14,21,27H,15H2,1H3,(H,24,28)
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250n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347289
PNG
(CHEMBL1796444)
Show SMILES Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N3OS/c1-16-11-13-18(14-12-16)24-23(28)26-21(19-9-5-6-10-22(19)27)15-20(25-26)17-7-3-2-4-8-17/h2-14,21,27H,15H2,1H3,(H,24,28)
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290n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347302
PNG
(CHEMBL1796457)
Show SMILES NC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H14ClN3O/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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300n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347291
PNG
(CHEMBL1796446)
Show SMILES Cc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:10|
Show InChI InChI=1S/C23H21N3OS/c1-16-8-7-11-18(14-16)24-23(28)26-21(19-12-5-6-13-22(19)27)15-20(25-26)17-9-3-2-4-10-17/h2-14,21,27H,15H2,1H3,(H,24,28)
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300n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493744
PNG
(CHEMBL2437019)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:11|
Show InChI InChI=1S/C23H20N2O4/c1-28-17-13-11-16(12-14-17)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)29-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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310n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347298
PNG
(CHEMBL1796453)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H21N3OS/c1-16-7-5-6-10-20(16)24-23(28)26-22(18-11-13-19(27)14-12-18)15-21(25-26)17-8-3-2-4-9-17/h2-14,22,27H,15H2,1H3,(H,24,28)
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310n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347292
PNG
(CHEMBL1796447)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H21N3O2S/c1-28-22-14-8-6-12-18(22)24-23(29)26-20(17-11-5-7-13-21(17)27)15-19(25-26)16-9-3-2-4-10-16/h2-14,20,27H,15H2,1H3,(H,24,29)
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310n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50249871
PNG
(3-phenyl-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H17N3S/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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333n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347295
PNG
(CHEMBL1795357)
Show SMILES COc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:11|
Show InChI InChI=1S/C23H21N3O2S/c1-28-20-9-5-8-18(14-20)24-23(29)26-22(17-10-12-19(27)13-11-17)15-21(25-26)16-6-3-2-4-7-16/h2-14,22,27H,15H2,1H3,(H,24,29)
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350n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347306
PNG
(CHEMBL1796450)
Show SMILES Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N3OS/c1-16-7-11-19(12-8-16)24-23(28)26-22(18-9-13-20(27)14-10-18)15-21(25-26)17-5-3-2-4-6-17/h2-14,22,27H,15H2,1H3,(H,24,28)
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360n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
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