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Compile Data Set for Download or QSAR

Found 1051 hits with Last Name = 'petzer' and Initial = 'jp'   
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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140279
PNG
(CHEMBL3754252)
Show SMILES CC(C)N(C(C)C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26)
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0.175n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50334292
PNG
(5-(4-Phenylbutyl)isatin | CHEMBL1642678)
Show SMILES O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H17NO2/c20-17-15-12-14(10-11-16(15)19-18(17)21)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20,21)
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0.280n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay


Bioorg Med Chem 19: 261-74 (2011)


Article DOI: 10.1016/j.bmc.2010.11.028
BindingDB Entry DOI: 10.7270/Q2DR2VSB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140285
PNG
(CHEMBL3752439)
Show SMILES CCN(CC)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-3-25(4-2)21(26)27-17-12-8-11-16(13-17)19-14-18(23-20(22)24-19)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H2,22,23,24)
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0.468n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140307
PNG
(CHEMBL3754358)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c22-20-23-18(15-7-2-1-3-8-15)14-19(24-20)16-9-6-10-17(13-16)27-21(26)25-11-4-5-12-25/h1-3,6-10,13-14H,4-5,11-12H2,(H2,22,23,24)
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0.835n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140277
PNG
(CHEMBL3752923)
Show SMILES CN(C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N4O2/c1-28(19-12-6-3-7-13-19)24(29)30-20-14-8-11-18(15-20)22-16-21(26-23(25)27-22)17-9-4-2-5-10-17/h2-16H,1H3,(H2,25,26,27)
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1.10n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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1.20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50140314
PNG
(CHEMBL3753390)
Show SMILES CN1CCN(CC1)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)22(28)29-18-9-5-8-17(14-18)20-15-19(24-21(23)25-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,23,24,25)
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1.60n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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2n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in rat striatal membrane


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140342
PNG
(CHEMBL3753339)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c23-21-24-19(16-8-3-1-4-9-16)15-20(25-21)17-10-7-11-18(14-17)28-22(27)26-12-5-2-6-13-26/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H2,23,24,25)
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2n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140314
PNG
(CHEMBL3753390)
Show SMILES CN1CCN(CC1)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)22(28)29-18-9-5-8-17(14-18)20-15-19(24-21(23)25-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,23,24,25)
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2n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140286
PNG
(CHEMBL3751996)
Show SMILES CN(C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C19H18N4O2/c1-23(2)19(24)25-15-10-6-9-14(11-15)17-12-16(21-18(20)22-17)13-7-4-3-5-8-13/h3-12H,1-2H3,(H2,20,21,22)
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2.10n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140312
PNG
(CHEMBL3754167)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O3/c22-20-23-18(15-5-2-1-3-6-15)14-19(24-20)16-7-4-8-17(13-16)28-21(26)25-9-11-27-12-10-25/h1-8,13-14H,9-12H2,(H2,22,23,24)
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2.70n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264626
PNG
((E,E)-1,3-Diethyl-8-(4-phenylbutadien-1-yl)-7-meth...)
Show SMILES CCn1c2nc(\C=C\C=C\c3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H22N4O2/c1-4-23-18-17(19(25)24(5-2)20(23)26)22(3)16(21-18)14-10-9-13-15-11-7-6-8-12-15/h6-14H,4-5H2,1-3H3/b13-9+,14-10+
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2.74n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350637
PNG
(CHEMBL1813523)
Show SMILES Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C15H10BrNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)
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3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50140312
PNG
(CHEMBL3754167)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O3/c22-20-23-18(15-5-2-1-3-6-15)14-19(24-20)16-7-4-8-17(13-16)28-21(26)25-9-11-27-12-10-25/h1-8,13-14H,9-12H2,(H2,22,23,24)
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3.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50145630
PNG
(CHEMBL3764447)
Show SMILES Clc1ccc(COc2ccc3sc(=O)oc3c2)cc1
Show InChI InChI=1S/C14H9ClO3S/c15-10-3-1-9(2-4-10)8-17-11-5-6-13-12(7-11)18-14(16)19-13/h1-7H,8H2
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3.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competition inhibition of recombinant human MAO-B pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Linew...


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50145630
PNG
(CHEMBL3764447)
Show SMILES Clc1ccc(COc2ccc3sc(=O)oc3c2)cc1
Show InChI InChI=1S/C14H9ClO3S/c15-10-3-1-9(2-4-10)8-17-11-5-6-13-12(7-11)18-14(16)19-13/h1-7H,8H2
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3.90n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Michaelis-Menten ...


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50259619
PNG
((E)-5-Styrylisatin | CHEMBL466872)
Show SMILES O=C1Nc2ccc(\C=C\c3ccccc3)cc2C1=O
Show InChI InChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
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4n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay


Bioorg Med Chem 19: 261-74 (2011)


Article DOI: 10.1016/j.bmc.2010.11.028
BindingDB Entry DOI: 10.7270/Q2DR2VSB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264554
PNG
((E)-1,3-diethyl-8-(3,4-dimethoxystyryl)-7-methylxa...)
Show SMILES CCN1C2N=C(C=Cc3ccc(OC)c(OC)c3)N(C)C2C(=O)N(CC)C1=O
Show InChI InChI=1S/C20H26N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12,17-18H,6-7H2,1-5H3
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4.46n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350642
PNG
(CHEMBL1813519)
Show SMILES O=C1NC(=O)c2cc(OCCc3ccccc3)ccc12
Show InChI InChI=1S/C16H13NO3/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19)
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7n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50017430
PNG
(CHEMBL3288298)
Show SMILES Ic1cccc(COc2ccc3C(=O)CCCc3c2)c1
Show InChI InChI=1S/C17H15IO2/c18-14-5-1-3-12(9-14)11-20-15-7-8-16-13(10-15)4-2-6-17(16)19/h1,3,5,7-10H,2,4,6,11H2
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7.10n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-B using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 24: 2758-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.021
BindingDB Entry DOI: 10.7270/Q2K93936
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264669
PNG
((E,E)-1,3-Diethyl-8-(4-phenylbutadien-1-yl)-7-ethy...)
Show SMILES CCn1c(\C=C\C=C\c2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C21H24N4O2/c1-4-23-17(15-11-10-14-16-12-8-7-9-13-16)22-19-18(23)20(26)25(6-3)21(27)24(19)5-2/h7-15H,4-6H2,1-3H3/b14-10+,15-11+
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7.73n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50140342
PNG
(CHEMBL3753339)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c23-21-24-19(16-8-3-1-4-9-16)15-20(25-21)17-10-7-11-18(14-17)28-22(27)26-12-5-2-6-13-26/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H2,23,24,25)
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8.90n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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9.80n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Morrison equation analysis


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350636
PNG
(CHEMBL1813522)
Show SMILES O=C1NC(=O)c2cc(Oc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C18H11NO3/c20-17-15-8-7-14(10-16(15)18(21)19-17)22-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,20,21)
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10n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140343
PNG
(CHEMBL3754574)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C29H22N4O2/c30-28-31-26(21-11-4-1-5-12-21)20-27(32-28)22-13-10-18-25(19-22)35-29(34)33(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-20H,(H2,30,31,32)
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11n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110150
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3-diethyl-7- m...)
Show SMILES CCn1c2nc(\C=C\c3cccc(c3)C(F)(F)F)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H19F3N4O2/c1-4-25-16-15(17(27)26(5-2)18(25)28)24(3)14(23-16)10-9-12-7-6-8-13(11-12)19(20,21)22/h6-11H,4-5H2,1-3H3/b10-9+
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11.9n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50140279
PNG
(CHEMBL3754252)
Show SMILES CC(C)N(C(C)C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26)
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12n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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13n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264625
PNG
((E,E)-1,3-Dimethyl-8-(4-phenylbutadien-1-yl)-7-eth...)
Show SMILES CCn1c(\C=C\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H20N4O2/c1-4-23-15(13-9-8-12-14-10-6-5-7-11-14)20-17-16(23)18(24)22(3)19(25)21(17)2/h5-13H,4H2,1-3H3/b12-8+,13-9+
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13.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063522
PNG
(CHEMBL3398531)
Show SMILES Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21-17/h2-7,21H,1H3
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16n/an/an/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as kynuramine substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110148
PNG
((E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine...)
Show SMILES CCn1c2nc(\C=C\c3cccc(Br)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+
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17.2n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50063522
PNG
(CHEMBL3398531)
Show SMILES Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21-17/h2-7,21H,1H3
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18n/an/an/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350641
PNG
(CHEMBL342357)
Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
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19n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350643
PNG
(CHEMBL1813520)
Show SMILES O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
Show InChI InChI=1S/C17H15NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,20)
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20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350635
PNG
(CHEMBL1813521)
Show SMILES O=C1NC(=O)c2cc(OC\C=C\c3ccccc3)ccc12
Show InChI InChI=1S/C17H13NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,19,20)/b7-4+
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20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50306698
PNG
(8-(3-Bromobenzyloxy)caffeine | CHEMBL602464)
Show SMILES Cn1c(OCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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23n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50140285
PNG
(CHEMBL3752439)
Show SMILES CCN(CC)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-3-25(4-2)21(26)27-17-12-8-11-16(13-17)19-14-18(23-20(22)24-19)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H2,22,23,24)
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23n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350639
PNG
(CHEMBL1813525)
Show SMILES Brc1ccc(Oc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C14H8BrNO3/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,(H,16,17,18)
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24n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110145
PNG
((E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthin...)
Show SMILES CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H19ClN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+
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24.3n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50017491
PNG
(CHEMBL3288301)
Show SMILES O=C1CCCc2cc(OCc3cccc(c3)C#N)ccc12
Show InChI InChI=1S/C18H15NO2/c19-11-13-3-1-4-14(9-13)12-21-16-7-8-17-15(10-16)5-2-6-18(17)20/h1,3-4,7-10H,2,5-6,12H2
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25n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 24: 2758-63 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.021
BindingDB Entry DOI: 10.7270/Q2K93936
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50140307
PNG
(CHEMBL3754358)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c22-20-23-18(15-7-2-1-3-8-15)14-19(24-20)16-9-6-10-17(13-16)27-21(26)25-11-4-5-12-25/h1-3,6-10,13-14H,4-5,11-12H2,(H2,22,23,24)
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25n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50334293
PNG
(5-(4-Chlorophenoxy)isatin | CHEMBL1642679)
Show SMILES Clc1ccc(Oc2ccc3NC(=O)C(=O)c3c2)cc1
Show InChI InChI=1S/C14H8ClNO3/c15-8-1-3-9(4-2-8)19-10-5-6-12-11(7-10)13(17)14(18)16-12/h1-7H,(H,16,17,18)
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28n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay


Bioorg Med Chem 19: 261-74 (2011)


Article DOI: 10.1016/j.bmc.2010.11.028
BindingDB Entry DOI: 10.7270/Q2DR2VSB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110137
PNG
((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c))
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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28.4n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110149
PNG
((E)-8-(4-Bromostyryl)-1,3-diethyl-7-methylxanthine...)
Show SMILES CCn1c2nc(\C=C\c3ccc(Br)cc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-8-12-6-9-13(19)10-7-12/h6-11H,4-5H2,1-3H3/b11-8+
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28.9n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350638
PNG
(CHEMBL1813524)
Show SMILES Brc1ccc(CCOc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C16H12BrNO3/c17-11-3-1-10(2-4-11)7-8-21-12-5-6-13-14(9-12)16(20)18-15(13)19/h1-6,9H,7-8H2,(H,18,19,20)
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29n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326848
PNG
(3,4-Dichloro-N-(2-methyl-1H-indol-5-yl)benzamide |...)
Show SMILES Cc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
Show InChI InChI=1S/C16H12Cl2N2O/c1-9-6-11-7-12(3-5-15(11)19-9)20-16(21)10-2-4-13(17)14(18)8-10/h2-8,19H,1H3,(H,20,21)
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30n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells after 20 mins by spectrofluorometric analysis


Eur J Med Chem 45: 4458-66 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.005
BindingDB Entry DOI: 10.7270/Q2V40VFX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264556
PNG
((Z)-8-(3-chlorostyryl)caffeine | CHEMBL483243)
Show SMILES CN1C2C(N=C1C=Cc1cccc(Cl)c1)N(C)C(=O)N(C)C2=O
Show InChI InChI=1S/C16H17ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9,13-14H,1-3H3
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30.2n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110141
PNG
((E)-8-(3,4-Dichlorostyryl)-1,3-dimethyl-7-ethylxan...)
Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16Cl2N4O2/c1-4-23-13(8-6-10-5-7-11(18)12(19)9-10)20-15-14(23)16(24)22(3)17(25)21(15)2/h5-9H,4H2,1-3H3/b8-6+
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32.9n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
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