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PubMed code 26974383

Compile data set for download or QSAR
Found 11 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))
BDBM50155318
PNG
(CHEMBL3781063)
Show SMILES CSc1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C19H25N3O2/c23-18(14-6-3-9-20-12-14)17-8-4-10-22(17)19(24)16-11-13-5-1-2-7-15(13)21-16/h3,6,9,12-13,15-17,21H,1-2,4-5,7-8,10-11H2/t13-,15-,16-,17-/m0/s1
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PubMed
550n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155319
PNG
(CHEMBL3781774)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C19H23N3O2S/c20-16(12-6-2-1-3-7-12)19(24)22-11-10-14(22)17(23)18-21-13-8-4-5-9-15(13)25-18/h4-5,8-9,12,14,16H,1-3,6-7,10-11,20H2/t14-,16+/m0/s1
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720n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155322
PNG
(CHEMBL3780640)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C17H21N3O2S/c1-3-10(2)14(18)17(22)20-9-8-12(20)15(21)16-19-11-6-4-5-7-13(11)23-16/h4-7,10,12,14H,3,8-9,18H2,1-2H3/t10?,12-,14?/m0/s1
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780n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155321
PNG
(CHEMBL3782038)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c1OC
Show InChI InChI=1S/C16H19N3OS/c20-16-13(11-5-2-1-3-6-11)18-14(15-17-8-10-21-15)12-7-4-9-19(12)16/h8,10-11H,1-7,9H2
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1.15E+3n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155312
PNG
(CHEMBL3780160)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C17H11F3O4/c18-17(19,20)24-13-5-1-4-12(9-13)14(21)8-7-11-3-2-6-15-16(11)23-10-22-15/h1-9H,10H2/b8-7+
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2.36E+3n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155322
PNG
(CHEMBL3780640)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C17H21N3O2S/c1-3-10(2)14(18)17(22)20-9-8-12(20)15(21)16-19-11-6-4-5-7-13(11)23-16/h4-7,10,12,14H,3,8-9,18H2,1-2H3/t10?,12-,14?/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins fol...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155318
PNG
(CHEMBL3781063)
Show SMILES CSc1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C19H25N3O2/c23-18(14-6-3-9-20-12-14)17-8-4-10-22(17)19(24)16-11-13-5-1-2-7-15(13)21-16/h3,6,9,12-13,15-17,21H,1-2,4-5,7-8,10-11H2/t13-,15-,16-,17-/m0/s1
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PubMed
n/an/a 950n/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins fol...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155319
PNG
(CHEMBL3781774)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C19H23N3O2S/c20-16(12-6-2-1-3-7-12)19(24)22-11-10-14(22)17(23)18-21-13-8-4-5-9-15(13)25-18/h4-5,8-9,12,14,16H,1-3,6-7,10-11,20H2/t14-,16+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins fol...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155312
PNG
(CHEMBL3780160)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C17H11F3O4/c18-17(19,20)24-13-5-1-4-12(9-13)14(21)8-7-11-3-2-6-15-16(11)23-10-22-15/h1-9H,10H2/b8-7+
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n/an/a 1.51E+3n/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins fol...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155321
PNG
(CHEMBL3782038)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c1OC
Show InChI InChI=1S/C16H19N3OS/c20-16-13(11-5-2-1-3-6-11)18-14(15-17-8-10-21-15)12-7-4-9-19(12)16/h8,10-11H,1-7,9H2
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n/an/a 1.97E+3n/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins fol...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155320
PNG
(CHEMBL3781364)
Show SMILES COc1cccc(\C=C\C(=O)c2cccc(c2)C(F)(F)F)c1OC
Show InChI InChI=1S/C18H26N4O2/c1-21-11-19-10-16(21)17(23)15-7-4-8-22(15)18(24)14-9-12-5-2-3-6-13(12)20-14/h10-15,20H,2-9H2,1H3/t12-,13-,14-,15-/m0/s1
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n/an/a 4.49E+3n/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins fol...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%