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PubMed code 26432037

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134820
PNG
(CHEMBL3735724)
Show SMILES Cc1ccc(s1)C(=O)\C=C\c1ccc(F)c(Br)c1
Show InChI InChI=1S/C14H10BrFOS/c1-9-2-7-14(18-9)13(17)6-4-10-3-5-12(16)11(15)8-10/h2-8H,1H3/b6-4+
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n/an/a 67n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a 91n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134819
PNG
(CHEMBL3735123)
Show SMILES Fc1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1Br
Show InChI InChI=1S/C13H7BrClFOS/c14-9-7-8(1-3-10(9)16)2-4-11(17)12-5-6-13(15)18-12/h1-7H/b4-2+
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n/an/a 116n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134180
PNG
(CHEMBL3734767)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C14H8ClF3OS/c15-13-8-7-12(20-13)11(19)6-3-9-1-4-10(5-2-9)14(16,17)18/h1-8H/b6-3+
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n/an/a 133n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134792
PNG
(CHEMBL3736131)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(Cl)s2)c(O)c1
Show InChI InChI=1S/C14H11ClO3S/c1-18-9-2-5-11(13(17)8-9)12(16)6-3-10-4-7-14(15)19-10/h2-8,17H,1H3/b6-3+
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n/an/a 185n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134798
PNG
(CHEMBL2377627)
Show SMILES Clc1cccc(\C=C\C(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H11ClO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+
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n/an/a 529n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134183
PNG
(CHEMBL3735584)
Show SMILES Fc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1Br
Show InChI InChI=1S/C13H9BrFNO/c14-10-8-9(3-5-11(10)15)4-6-13(17)12-2-1-7-16-12/h1-8,16H/b6-4+
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n/an/a 803n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134181
PNG
(CHEMBL3735451)
Show SMILES Clc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C13H10ClNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1-9,15H/b7-6+
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n/an/a 3.27E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50134184
PNG
(CHEMBL3735202)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
Show InChI InChI=1S/C14H10F3NO/c15-14(16,17)11-6-3-10(4-7-11)5-8-13(19)12-2-1-9-18-12/h1-9,18H/b8-5+
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n/an/a 3.81E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50134180
PNG
(CHEMBL3734767)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C14H8ClF3OS/c15-13-8-7-12(20-13)11(19)6-3-9-1-4-10(5-2-9)14(16,17)18/h1-8H/b6-3+
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n/an/a 7.56E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50134183
PNG
(CHEMBL3735584)
Show SMILES Fc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1Br
Show InChI InChI=1S/C13H9BrFNO/c14-10-8-9(3-5-11(10)15)4-6-13(17)12-2-1-7-16-12/h1-8,16H/b6-4+
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n/an/a 8.98E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50134182
PNG
(CHEMBL3735467)
Show SMILES COc1ccc(cn1)C(=O)\C=C\c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClNO2/c1-19-15-8-6-12(10-17-15)14(18)7-5-11-3-2-4-13(16)9-11/h2-10H,1H3/b7-5+
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n/an/a 1.53E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50134181
PNG
(CHEMBL3735451)
Show SMILES Clc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C13H10ClNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1-9,15H/b7-6+
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n/an/a 1.43E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50134185
PNG
(CHEMBL3735739)
Show SMILES FC(F)(F)c1cccc(\C=C\C(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C14H10F3NO/c15-14(16,17)11-4-1-3-10(9-11)6-7-13(19)12-5-2-8-18-12/h1-9,18H/b7-6+
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n/an/a 2.67E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%