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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'zhu' and Initial = 'zw'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330205
PNG
(5-chloro-2-hydroxy-N-(quinolin-8-yl)benzamide | CH...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H11ClN2O2/c17-11-6-7-14(20)12(9-11)16(21)19-13-5-1-3-10-4-2-8-18-15(10)13/h1-9,20H,(H,19,21)
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n/an/a 3.80n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330208
PNG
(5-bromo-2-hydroxy-N-(quinolin-8-yl)nicotinamide | ...)
Show SMILES Brc1c[nH]c(=O)c(c1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H10BrN3O2/c16-10-7-11(14(20)18-8-10)15(21)19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8H,(H,18,20)(H,19,21)
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n/an/a 5.5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330206
PNG
(2-hydroxy-4-methyl-N-(quinolin-8-yl)benzamide | CH...)
Show SMILES Cc1ccc(C(=O)Nc2cccc3cccnc23)c(O)c1
Show InChI InChI=1S/C17H14N2O2/c1-11-7-8-13(15(20)10-11)17(21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10,20H,1H3,(H,19,21)
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n/an/a 9.60n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330218
PNG
(5-bromo-2-hydroxy-3-methyl-N-(quinolin-3-yl)benzam...)
Show SMILES Cc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1O
Show InChI InChI=1S/C17H13BrN2O2/c1-10-6-12(18)8-14(16(10)21)17(22)20-13-7-11-4-2-3-5-15(11)19-9-13/h2-9,21H,1H3,(H,20,22)
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n/an/a 12.4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330209
PNG
(2-hydroxy-5-methyl-N-(quinolin-8-yl)nicotinamide |...)
Show SMILES Cc1c[nH]c(=O)c(c1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H13N3O2/c1-10-8-12(15(20)18-9-10)16(21)19-13-6-2-4-11-5-3-7-17-14(11)13/h2-9H,1H3,(H,18,20)(H,19,21)
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n/an/a 13.5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330204
PNG
(3-nitro-N-(quinolin-8-yl)benzamide | CHEMBL1271560)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H11N3O3/c20-16(12-5-1-7-13(10-12)19(21)22)18-14-8-2-4-11-6-3-9-17-15(11)14/h1-10H,(H,18,20)
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n/an/a 16.5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330219
PNG
(2-bromo-5-chloro-N-(quinolin-3-yl)nicotinamide | C...)
Show SMILES Clc1cnc(Br)c(c1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H9BrClN3O/c16-14-12(6-10(17)7-19-14)15(21)20-11-5-9-3-1-2-4-13(9)18-8-11/h1-8H,(H,20,21)
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n/an/a 23.4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330203
PNG
(2-chloro-N-(quinolin-8-yl)benzamide | CHEMBL126963...)
Show SMILES Clc1ccccc1C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H11ClN2O/c17-13-8-2-1-7-12(13)16(20)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,20)
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n/an/a 23.6n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330211
PNG
(2-hydroxy-3-methyl-N-(quinolin-3-yl)benzamide | CH...)
Show SMILES Cc1cccc(C(=O)Nc2cnc3ccccc3c2)c1O
Show InChI InChI=1S/C17H14N2O2/c1-11-5-4-7-14(16(11)20)17(21)19-13-9-12-6-2-3-8-15(12)18-10-13/h2-10,20H,1H3,(H,19,21)
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n/an/a 25.5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330207
PNG
(2-hydroxy-3-methyl-N-(quinolin-8-yl)benzamide | CH...)
Show SMILES Cc1cccc(C(=O)Nc2cccc3cccnc23)c1O
Show InChI InChI=1S/C17H14N2O2/c1-11-5-2-8-13(16(11)20)17(21)19-14-9-3-6-12-7-4-10-18-15(12)14/h2-10,20H,1H3,(H,19,21)
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n/an/a 26.5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330214
PNG
(2-bromo-3-methyl-N-(quinolin-3-yl)benzamide | CHEM...)
Show SMILES Cc1cccc(C(=O)Nc2cnc3ccccc3c2)c1Br
Show InChI InChI=1S/C17H13BrN2O/c1-11-5-4-7-14(16(11)18)17(21)20-13-9-12-6-2-3-8-15(12)19-10-13/h2-10H,1H3,(H,20,21)
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n/an/a 28.4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330216
PNG
(3,5-dibromo-2-hydroxy-N-(quinolin-3-yl)benzamide |...)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C16H10Br2N2O2/c17-10-6-12(15(21)13(18)7-10)16(22)20-11-5-9-3-1-2-4-14(9)19-8-11/h1-8,21H,(H,20,22)
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n/an/a 32.4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330223
PNG
(5-chloro-2,6-dihydroxy-N-(quinolin-3-yl)nicotinami...)
Show SMILES Oc1[nH]c(=O)c(Cl)cc1C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H10ClN3O3/c16-11-6-10(14(21)19-15(11)22)13(20)18-9-5-8-3-1-2-4-12(8)17-7-9/h1-7H,(H,18,20)(H2,19,21,22)
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n/an/a 32.7n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307192
PNG
(5-Chloro-6-hydroxy-N-(2-morpholinoethyl)nicotinami...)
Show SMILES Clc1cc(c[nH]c1=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H16ClN3O3/c13-10-7-9(8-15-12(10)18)11(17)14-1-2-16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,17)(H,15,18)
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n/an/a 45n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330217
PNG
(3-chloro-2-hydroxy-N-(quinolin-3-yl)benzamide | CH...)
Show SMILES Oc1c(Cl)cccc1C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C16H11ClN2O2/c17-13-6-3-5-12(15(13)20)16(21)19-11-8-10-4-1-2-7-14(10)18-9-11/h1-9,20H,(H,19,21)
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n/an/a 72.8n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307191
PNG
(5,6-Dichloro-N-(2-morpholinoethyl)nicotinamide | C...)
Show SMILES Clc1cc(cnc1Cl)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H15Cl2N3O2/c13-10-7-9(8-16-11(10)14)12(18)15-1-2-17-3-5-19-6-4-17/h7-8H,1-6H2,(H,15,18)
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n/an/a 84n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330210
PNG
(6-chloro-N-(quinolin-8-yl)nicotinamide | CHEMBL126...)
Show SMILES Clc1ccc(cn1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H10ClN3O/c16-13-7-6-11(9-18-13)15(20)19-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H,19,20)
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n/an/a 84.9n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330221
PNG
(5-bromo-N-(quinolin-3-yl)nicotinamide | CHEMBL1269...)
Show SMILES Brc1cncc(c1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H10BrN3O/c16-12-5-11(7-17-8-12)15(20)19-13-6-10-3-1-2-4-14(10)18-9-13/h1-9H,(H,19,20)
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n/an/a 88.5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307204
PNG
(5,6-Dichloro-N-(3-morpholinopropyl)nicotinamide | ...)
Show SMILES Clc1cc(cnc1Cl)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H17Cl2N3O2/c14-11-8-10(9-17-12(11)15)13(19)16-2-1-3-18-4-6-20-7-5-18/h8-9H,1-7H2,(H,16,19)
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n/an/a 100n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330220
PNG
(2-chloro-5-methyl-N-(quinolin-3-yl)nicotinamide | ...)
Show SMILES Cc1cnc(Cl)c(c1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C16H12ClN3O/c1-10-6-13(15(17)19-8-10)16(21)20-12-7-11-4-2-3-5-14(11)18-9-12/h2-9H,1H3,(H,20,21)
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n/an/a 102n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330213
PNG
(CHEMBL1269663 | N-(quinolin-3-yl)benzamide)
Show SMILES O=C(Nc1cnc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)18-14-10-13-8-4-5-9-15(13)17-11-14/h1-11H,(H,18,19)
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n/an/a 107n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330222
PNG
(3-bromo-5-methyl-N-(quinolin-3-yl)benzamide | CHEM...)
Show SMILES Cc1cc(Br)cc(c1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C17H13BrN2O/c1-11-6-13(8-14(18)7-11)17(21)20-15-9-12-4-2-3-5-16(12)19-10-15/h2-10H,1H3,(H,20,21)
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n/an/a 113n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330201
PNG
(4-nitro-N-(quinolin-8-yl)benzamide | CHEMBL1271559)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H11N3O3/c20-16(12-6-8-13(9-7-12)19(21)22)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-10H,(H,18,20)
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n/an/a 113n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330202
PNG
(4-chloro-N-(quinolin-8-yl)benzamide | CHEMBL126963...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H11ClN2O/c17-13-8-6-12(7-9-13)16(20)19-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H,(H,19,20)
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n/an/a 125n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330200
PNG
(CHEMBL1169656 | N-(quinolin-8-yl)benzamide | N-Qui...)
Show SMILES O=C(Nc1cccc2cccnc12)c1ccccc1
Show InChI InChI=1S/C16H12N2O/c19-16(13-6-2-1-3-7-13)18-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H,(H,18,19)
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n/an/a 135n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 150n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by microplate reader assay


Bioorg Med Chem Lett 21: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.062
BindingDB Entry DOI: 10.7270/Q2571C83
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307188
PNG
(6-Chloro-N-(2-morpholinoethyl)nicotinamide | CHEMB...)
Show SMILES Clc1ccc(cn1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H16ClN3O2/c13-11-2-1-10(9-15-11)12(17)14-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,17)
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n/an/a 180n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330212
PNG
(5-bromo-N-(quinolin-8-yl)nicotinamide | CHEMBL1269...)
Show SMILES Brc1cncc(c1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H10BrN3O/c16-12-7-11(8-17-9-12)15(20)19-13-5-1-3-10-4-2-6-18-14(10)13/h1-9H,(H,19,20)
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n/an/a 209n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [645-1186]


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 320n/an/an/an/a7.425



Nanjing University



Assay Description
Compounds 1-32 were dissolved in 100% DMSO and diluted to the appropriate concentrations with 25 mM HEPES at pH 7.4. In each well, 10 μL of comp...


J Enzyme Inhib Med Chem 26: 37-45 (2011)


Article DOI: 10.3109/14756361003671060
BindingDB Entry DOI: 10.7270/Q2XW4HPN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50307208
PNG
(2-Bromo-N-(2-morpholinoethyl)nicotinamide | CHEMBL...)
Show SMILES Brc1ncccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H16BrN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
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n/an/a 320n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50330215
PNG
(3-chloro-5-methyl-N-(quinolin-3-yl)benzamide | CHE...)
Show SMILES Cc1cc(Cl)cc(c1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C17H13ClN2O/c1-11-6-13(8-14(18)7-11)17(21)20-15-9-12-4-2-3-5-16(12)19-10-15/h2-10H,1H3,(H,20,21)
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n/an/a 326n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 6653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.014
BindingDB Entry DOI: 10.7270/Q2B56JZW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307201
PNG
(6-Chloro-N-(3-morpholinopropyl)nicotinamide | CHEM...)
Show SMILES Clc1ccc(cn1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H18ClN3O2/c14-12-3-2-11(10-16-12)13(18)15-4-1-5-17-6-8-19-9-7-17/h2-3,10H,1,4-9H2,(H,15,18)
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n/an/a 380n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307189
PNG
(6-Hydroxy-N-(2-morpholinoethyl)nicotinamide | CHEM...)
Show SMILES O=C(NCCN1CCOCC1)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C12H17N3O3/c16-11-2-1-10(9-14-11)12(17)13-3-4-15-5-7-18-8-6-15/h1-2,9H,3-8H2,(H,13,17)(H,14,16)
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n/an/a 430n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [645-1186]


(Homo sapiens (Human))
BDBM234326
PNG
(2-Hydroxy-5-iodo-N-(4-methoxyphenyl)benzamide (28))
Show SMILES COc1ccc(NC(=O)c2cc(I)ccc2O)cc1
Show InChI InChI=1S/C14H12INO3/c1-19-11-5-3-10(4-6-11)16-14(18)12-8-9(15)2-7-13(12)17/h2-8,17H,1H3,(H,16,18)
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n/an/a 630n/an/an/an/a7.425



Nanjing University



Assay Description
Compounds 1-32 were dissolved in 100% DMSO and diluted to the appropriate concentrations with 25 mM HEPES at pH 7.4. In each well, 10 μL of comp...


J Enzyme Inhib Med Chem 26: 37-45 (2011)


Article DOI: 10.3109/14756361003671060
BindingDB Entry DOI: 10.7270/Q2XW4HPN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50334327
PNG
(5-Chloro-N-(4-fluorophenyl)-6-hydroxynicotinamide ...)
Show SMILES Fc1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
Show InChI InChI=1S/C12H8ClFN2O2/c13-10-5-7(6-15-12(10)18)11(17)16-9-3-1-8(14)2-4-9/h1-6H,(H,15,18)(H,16,17)
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n/an/a 680n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by microplate reader assay


Bioorg Med Chem Lett 21: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.062
BindingDB Entry DOI: 10.7270/Q2571C83
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307210
PNG
(4-Chloro-N-(2-morpholinoethyl)nicotinamide | CHEMB...)
Show SMILES Clc1ccncc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H16ClN3O2/c13-11-1-2-14-9-10(11)12(17)15-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,15,17)
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n/an/a 750n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [645-1186]


(Homo sapiens (Human))
BDBM234320
PNG
(N-(2-bromophenyl)-2-hydroxy-5-iodobenzamide (22))
Show SMILES Oc1ccc(I)cc1C(=O)Nc1ccccc1Br
Show InChI InChI=1S/C13H9BrINO2/c14-10-3-1-2-4-11(10)16-13(18)9-7-8(15)5-6-12(9)17/h1-7,17H,(H,16,18)
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n/an/a 920n/an/an/an/a7.425



Nanjing University



Assay Description
Compounds 1-32 were dissolved in 100% DMSO and diluted to the appropriate concentrations with 25 mM HEPES at pH 7.4. In each well, 10 μL of comp...


J Enzyme Inhib Med Chem 26: 37-45 (2011)


Article DOI: 10.3109/14756361003671060
BindingDB Entry DOI: 10.7270/Q2XW4HPN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50307207
PNG
(2-Chloro-N-(2-morpholinoethyl)nicotinamide | CHEMB...)
Show SMILES Clc1ncccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H16ClN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50307195
PNG
(2-Bromo-N-(3-morpholinopropyl)nicotinamide | CHEMB...)
Show SMILES Brc1ncccc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H18BrN3O2/c14-12-11(3-1-4-15-12)13(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4H,2,5-10H2,(H,16,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307207
PNG
(2-Chloro-N-(2-morpholinoethyl)nicotinamide | CHEMB...)
Show SMILES Clc1ncccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H16ClN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [645-1186]


(Homo sapiens (Human))
BDBM234325
PNG
(2-Hydroxy-5-iodo-N-p-tolylbenzamide (27))
Show SMILES Cc1ccc(NC(=O)c2cc(I)ccc2O)cc1
Show InChI InChI=1S/C14H12INO2/c1-9-2-5-11(6-3-9)16-14(18)12-8-10(15)4-7-13(12)17/h2-8,17H,1H3,(H,16,18)
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n/an/a 2.68E+3n/an/an/an/a7.425



Nanjing University



Assay Description
Compounds 1-32 were dissolved in 100% DMSO and diluted to the appropriate concentrations with 25 mM HEPES at pH 7.4. In each well, 10 μL of comp...


J Enzyme Inhib Med Chem 26: 37-45 (2011)


Article DOI: 10.3109/14756361003671060
BindingDB Entry DOI: 10.7270/Q2XW4HPN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50334328
PNG
(5-Chloro-N-(4-chlorophenyl)-6-hydroxynicotinamide ...)
Show SMILES Clc1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
Show InChI InChI=1S/C12H8Cl2N2O2/c13-8-1-3-9(4-2-8)16-11(17)7-5-10(14)12(18)15-6-7/h1-6H,(H,15,18)(H,16,17)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by microplate reader assay


Bioorg Med Chem Lett 21: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.062
BindingDB Entry DOI: 10.7270/Q2571C83
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50334322
PNG
(CHEMBL1643016 | N-(4-fluorophenyl)-6-hydroxynicoti...)
Show SMILES Fc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1
Show InChI InChI=1S/C12H9FN2O2/c13-9-2-4-10(5-3-9)15-12(17)8-1-6-11(16)14-7-8/h1-7H,(H,14,16)(H,15,17)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by microplate reader assay


Bioorg Med Chem Lett 21: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.062
BindingDB Entry DOI: 10.7270/Q2571C83
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [645-1186]


(Homo sapiens (Human))
BDBM234319
PNG
(N-(2-chlorophenyl)-2-hydroxy-5-iodobenzamide (21))
Show SMILES Oc1ccc(I)cc1C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C13H9ClINO2/c14-10-3-1-2-4-11(10)16-13(18)9-7-8(15)5-6-12(9)17/h1-7,17H,(H,16,18)
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n/an/a 4.37E+3n/an/an/an/a7.425



Nanjing University



Assay Description
Compounds 1-32 were dissolved in 100% DMSO and diluted to the appropriate concentrations with 25 mM HEPES at pH 7.4. In each well, 10 μL of comp...


J Enzyme Inhib Med Chem 26: 37-45 (2011)


Article DOI: 10.3109/14756361003671060
BindingDB Entry DOI: 10.7270/Q2XW4HPN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50307194
PNG
(2-Chloro-N-(3-morpholinopropyl)nicotinamide | CHEM...)
Show SMILES Clc1ncccc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H18ClN3O2/c14-12-11(3-1-4-15-12)13(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4H,2,5-10H2,(H,16,18)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
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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n/an/a 6.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307197
PNG
(4-Chloro-N-(3-morpholinopropyl)nicotinamide | CHEM...)
Show SMILES Clc1ccncc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H18ClN3O2/c14-12-2-4-15-10-11(12)13(18)16-3-1-5-17-6-8-19-9-7-17/h2,4,10H,1,3,5-9H2,(H,16,18)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50307208
PNG
(2-Bromo-N-(2-morpholinoethyl)nicotinamide | CHEMBL...)
Show SMILES Brc1ncccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C12H16BrN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorometry


Bioorg Med Chem 18: 1659-64 (2010)


Article DOI: 10.1016/j.bmc.2009.12.065
BindingDB Entry DOI: 10.7270/Q22F7NKV
More data for this
Ligand-Target Pair
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