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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50049262   
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))
BDBM50237650
PNG
(CHEMBL4071507)
Show SMILES O=C1COC(=NN1)c1ccc(cc1)\N=N\c1ccccc1
Show InChI InChI=1S/C15H12N4O2/c20-14-10-21-15(19-18-14)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,20)/b17-16+
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n/an/a 4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/s2
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n/an/a 6n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237651
PNG
(CHEMBL4090821)
Show SMILES Fc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1
Show InChI InChI=1S/C15H11FN4O2/c16-11-2-1-3-13(8-11)18-17-12-6-4-10(5-7-12)15-20-19-14(21)9-22-15/h1-8H,9H2,(H,19,21)/b18-17+
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n/an/a 12n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237653
PNG
(CHEMBL4104933)
Show SMILES Fc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C17H13FN2O2/c18-15-3-1-2-13(10-15)5-4-12-6-8-14(9-7-12)17-20-19-16(21)11-22-17/h1-10H,11H2,(H,19,21)/b5-4+
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n/an/a 22n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237652
PNG
(CHEMBL4080702)
Show SMILES O=C1COC(=NN1)c1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O2/c20-16-12-21-17(19-18-16)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,20)/b7-6+
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n/an/a 165n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237642
PNG
(CHEMBL4061847)
Show SMILES Clc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C17H13ClN2O2/c18-15-3-1-2-13(10-15)5-4-12-6-8-14(9-7-12)17-20-19-16(21)11-22-17/h1-10H,11H2,(H,19,21)/b5-4+
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n/an/a 173n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237638
PNG
(CHEMBL4100056)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1=NNC(=O)CO1
Show InChI InChI=1S/C16H12ClN3O3/c17-12-3-1-2-11(8-12)15(22)18-13-6-4-10(5-7-13)16-20-19-14(21)9-23-16/h1-8H,9H2,(H,18,22)(H,19,21)
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n/an/a 284n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237641
PNG
(CHEMBL4070468)
Show SMILES Clc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1
Show InChI InChI=1S/C15H11ClN4O2/c16-11-2-1-3-13(8-11)18-17-12-6-4-10(5-7-12)15-20-19-14(21)9-22-15/h1-8H,9H2,(H,19,21)/b18-17+
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n/an/a 287n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237643
PNG
(CHEMBL4089906)
Show SMILES Clc1cccc(NC(=O)c2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C16H12ClN3O3/c17-12-2-1-3-13(8-12)18-15(22)10-4-6-11(7-5-10)16-20-19-14(21)9-23-16/h1-8H,9H2,(H,18,22)(H,19,21)
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n/an/a 288n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237654
PNG
(CHEMBL4088573)
Show SMILES Cc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C18H16N2O2/c1-13-3-2-4-15(11-13)6-5-14-7-9-16(10-8-14)18-20-19-17(21)12-22-18/h2-11H,12H2,1H3,(H,19,21)/b6-5+
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n/an/a 338n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containingthe cloned human mu opioid recepto...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237648
PNG
(CHEMBL4060152)
Show SMILES Clc1ccc(cc1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1
Show InChI InChI=1S/C15H11ClN4O2/c16-11-3-7-13(8-4-11)18-17-12-5-1-10(2-6-12)15-20-19-14(21)9-22-15/h1-8H,9H2,(H,19,21)/b18-17+
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n/an/a 392n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237649
PNG
(CHEMBL4082044)
Show SMILES Clc1ccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)cc1
Show InChI InChI=1S/C17H13ClN2O2/c18-15-9-5-13(6-10-15)2-1-12-3-7-14(8-4-12)17-20-19-16(21)11-22-17/h1-10H,11H2,(H,19,21)/b2-1+
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n/an/a 542n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237644
PNG
(CHEMBL4067767)
Show SMILES Clc1cccc(N\N=C\c2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C16H13ClN4O2/c17-13-2-1-3-14(8-13)19-18-9-11-4-6-12(7-5-11)16-21-20-15(22)10-23-16/h1-9,19H,10H2,(H,20,22)/b18-9+
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n/an/a 554n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237656
PNG
(CHEMBL4064449)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C17H15N3O2/c1-12-3-2-4-13(9-12)10-18-15-7-5-14(6-8-15)17-20-19-16(21)11-22-17/h2-10H,11H2,1H3,(H,19,21)/b18-10+
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n/an/a 1.27E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237655
PNG
(CHEMBL4091433)
Show SMILES Fc1cccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C16H12FN3O2/c17-13-3-1-2-11(8-13)9-18-14-6-4-12(5-7-14)16-20-19-15(21)10-22-16/h1-9H,10H2,(H,19,21)/b18-9+
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n/an/a 1.53E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237640
PNG
(CHEMBL4071510)
Show SMILES Clc1cccc(CNc2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C16H14ClN3O2/c17-13-3-1-2-11(8-13)9-18-14-6-4-12(5-7-14)16-20-19-15(21)10-22-16/h1-8,18H,9-10H2,(H,19,21)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237639
PNG
(CHEMBL4092303)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(cc2)C2=NNC(=O)CO2)c1
Show InChI InChI=1S/C16H13ClN4O3/c17-11-2-1-3-13(8-11)19-16(23)18-12-6-4-10(5-7-12)15-21-20-14(22)9-24-15/h1-8H,9H2,(H,20,22)(H2,18,19,23)
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n/an/a 2.89E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237646
PNG
(CHEMBL4097639)
Show SMILES NC(=O)CN1N=C(OCC1=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C18H15ClN4O4/c19-13-3-1-2-12(8-13)17(26)21-14-6-4-11(5-7-14)18-22-23(9-15(20)24)16(25)10-27-18/h1-8H,9-10H2,(H2,20,24)(H,21,26)
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n/an/a 3.69E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237645
PNG
(CHEMBL4079608)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1=NN(CCC#N)C(=O)CO1
Show InChI InChI=1S/C19H15ClN4O3/c20-15-4-1-3-14(11-15)18(26)22-16-7-5-13(6-8-16)19-23-24(10-2-9-21)17(25)12-27-19/h1,3-8,11H,2,10,12H2,(H,22,26)
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n/an/a 4.23E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50237647
PNG
(CHEMBL4089905)
Show SMILES CCN1N=C(OCC1=O)c1ccc(\C=C\c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H17ClN2O2/c1-2-22-18(23)13-24-19(21-22)16-10-8-14(9-11-16)6-7-15-4-3-5-17(20)12-15/h3-12H,2,13H2,1H3/b7-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R


Eur J Med Chem 130: 365-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.059
BindingDB Entry DOI: 10.7270/Q2K076J6
More data for this
Ligand-Target Pair