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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'chaurasiya' and Initial = 'nd'   
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))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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49n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 30 mins


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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59n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substra...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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124n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrat...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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163n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrat...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50250840
PNG
(5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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n/an/a 5.60n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 6.70n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388006
PNG
(CHEMBL2058428)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-7-10(16)4-5-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 18n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387980
PNG
(CHEMBL2058417)
Show SMILES C\N=C1/NC(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)12(19(14)2)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,17H,1-2H3,(H,16,18,20)/b12-5+
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n/an/a 29n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50321885
PNG
((E)-5-((1H-Indol-3yl)methylene)-2-imino-1,3-dimeth...)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15-16H,1-2H3/b12-7+,15-14?
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n/an/a 35n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 49n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388014
PNG
(CHEMBL2058420)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3c(Br)cccc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-11(13(20)19(2)14(18)16)6-8-7-17-12-9(8)4-3-5-10(12)15/h3-7,16-17H,1-2H3/b11-6+,16-14?
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n/an/a 52n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388007
PNG
(CHEMBL2058427)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-5-4-10(16)7-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 85n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388009
PNG
(METHYLAPLYSINOPSIN)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
Show InChI InChI=1S/C15H16N4O/c1-16-15-18(2)13(14(20)19(15)3)8-10-9-17-12-7-5-4-6-11(10)12/h4-9,17H,1-3H3/b13-8+,16-15-
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n/an/a 98n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 121n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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n/an/a 130n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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n/an/a 143n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50364475
PNG
(CHEMBL1950704)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-14-10-12-28-21-18(29-15(2)5-4-11-27)13-19(30-3)22(20(14)21)31-17-8-6-16(7-9-17)23(24,25)26/h6-10,12-13,15,29H,4-5,11,27H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387981
PNG
(CHEMBL2058429)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)12(14(21)20(15)3)7-9-8-18-13-10(9)5-4-6-11(13)16/h4-8,18H,1-3H3/b12-7+,17-15-
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n/an/a 153n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50250839
PNG
(6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)
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n/an/a 165n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50388006
PNG
(CHEMBL2058428)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-7-10(16)4-5-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 207n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388015
PNG
(CHEMBL1170237)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-4-3-9(15)6-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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n/an/a 236n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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n/an/a 238n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388018
PNG
(CHEMBL2058416)
Show SMILES C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)12(19(14)2)5-8-7-17-11-4-3-9(15)6-10(8)11/h3-7,17H,1-2H3,(H,16,18,20)/b12-5+
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n/an/a 263n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387995
PNG
(CHEMBL2058694)
Show SMILES Brc1cccc2[nH]cc(\C=C3/NC(=S)NC3=O)c12
Show InChI InChI=1S/C12H8BrN3OS/c13-7-2-1-3-8-10(7)6(5-14-8)4-9-11(17)16-12(18)15-9/h1-5,14H,(H2,15,16,17,18)/b9-4-
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n/an/a 267n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388021
PNG
(CHEMBL2058412)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3ccc(Br)cc23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-3-2-8(14)5-9(7)10/h2-6,16H,1H3,(H2,15,17)
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n/an/a 327n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50388007
PNG
(CHEMBL2058427)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-5-4-10(16)7-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 370n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50250840
PNG
(5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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n/an/a 447n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50387995
PNG
(CHEMBL2058694)
Show SMILES Brc1cccc2[nH]cc(\C=C3/NC(=S)NC3=O)c12
Show InChI InChI=1S/C12H8BrN3OS/c13-7-2-1-3-8-10(7)6(5-14-8)4-9-11(17)16-12(18)15-9/h1-5,14H,(H2,15,16,17,18)/b9-4-
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n/an/a 450n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388001
PNG
(CHEMBL2058700)
Show SMILES CSC1=NC(=O)C(N1)=Cc1c[nH]c2cc(Br)ccc12 |w:8.9,t:2|
Show InChI InChI=1S/C13H10BrN3OS/c1-19-13-16-11(12(18)17-13)4-7-6-15-10-5-8(14)2-3-9(7)10/h2-6,15H,1H3,(H,16,17,18)
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n/an/a 533n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387994
PNG
(CHEMBL2058697)
Show SMILES Brc1cccc2c(\C=C3/NC(=S)NC3=O)c[nH]c12
Show InChI InChI=1S/C12H8BrN3OS/c13-8-3-1-2-7-6(5-14-10(7)8)4-9-11(17)16-12(18)15-9/h1-5,14H,(H2,15,16,17,18)/b9-4-
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n/an/a 543n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50364483
PNG
(CHEMBL534756)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3
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n/an/a 550n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388008
PNG
(CHEMBL2058426)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)12(14(21)20(15)3)7-9-8-18-11-6-4-5-10(16)13(9)11/h4-8,18H,1-3H3/b12-7+,17-15-
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n/an/a 623n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388000
PNG
(CHEMBL2058701)
Show SMILES CSC1=NC(=O)C(N1)=Cc1c[nH]c2c(Br)cccc12 |w:8.9,t:2|
Show InChI InChI=1S/C13H10BrN3OS/c1-19-13-16-10(12(18)17-13)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-6,15H,1H3,(H,16,17,18)
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n/an/a 627n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 640n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387993
PNG
(CHEMBL2058698)
Show SMILES CSC1=NC(=O)C(N1)=Cc1c[nH]c2cccc(Br)c12 |w:8.9,t:2|
Show InChI InChI=1S/C13H10BrN3OS/c1-19-13-16-10(12(18)17-13)5-7-6-15-9-4-2-3-8(14)11(7)9/h2-6,15H,1H3,(H,16,17,18)
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n/an/a 677n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387996
PNG
(CHEMBL2058425)
Show SMILES CNC1=NC(=Cc2c[nH]c3c(Br)cccc23)C(=O)N1C |w:5.5,t:2|
Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-11(13(20)19(14)2)6-8-7-17-12-9(8)4-3-5-10(12)15/h3-7,17H,1-2H3,(H,16,18)
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.12E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388010
PNG
(CHEMBL2058424)
Show SMILES CNC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1C |w:5.5,t:2|
Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-12(13(20)19(14)2)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,17H,1-2H3,(H,16,18)
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n/an/a 1.12E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388020
PNG
(CHEMBL2058414)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3c(Br)cccc23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)10(17-13(18)15)5-7-6-16-11-8(7)3-2-4-9(11)14/h2-6,16H,1H3,(H2,15,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387978
PNG
(CHEMBL2058704)
Show SMILES CNC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1 |w:5.5,t:2|
Show InChI InChI=1S/C13H11BrN4O/c1-15-13-17-11(12(19)18-13)4-7-6-16-10-3-2-8(14)5-9(7)10/h2-6,16H,1H3,(H2,15,17,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388004
PNG
(CHEMBL2058695)
Show SMILES Brc1ccc2[nH]cc(\C=C3/NC(=S)NC3=O)c2c1
Show InChI InChI=1S/C12H8BrN3OS/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(17)16-12(18)15-10/h1-5,14H,(H2,15,16,17,18)/b10-3-
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n/an/a 1.23E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50387994
PNG
(CHEMBL2058697)
Show SMILES Brc1cccc2c(\C=C3/NC(=S)NC3=O)c[nH]c12
Show InChI InChI=1S/C12H8BrN3OS/c13-8-3-1-2-7-6(5-14-10(7)8)4-9-11(17)16-12(18)15-9/h1-5,14H,(H2,15,16,17,18)/b9-4-
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50388001
PNG
(CHEMBL2058700)
Show SMILES CSC1=NC(=O)C(N1)=Cc1c[nH]c2cc(Br)ccc12 |w:8.9,t:2|
Show InChI InChI=1S/C13H10BrN3OS/c1-19-13-16-11(12(18)17-13)4-7-6-15-10-5-8(14)2-3-9(7)10/h2-6,15H,1H3,(H,16,17,18)
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n/an/a 1.42E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388023
PNG
(CHEMBL2058411)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cccc(Br)c23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)10(17-13(18)15)5-7-6-16-9-4-2-3-8(14)11(7)9/h2-6,16H,1H3,(H2,15,17)
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387979
PNG
(CHEMBL2058696)
Show SMILES Brc1ccc2c(\C=C3/NC(=S)NC3=O)c[nH]c2c1
Show InChI InChI=1S/C12H8BrN3OS/c13-7-1-2-8-6(5-14-9(8)4-7)3-10-11(17)16-12(18)15-10/h1-5,14H,(H2,15,16,17,18)/b10-3-
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n/an/a 1.53E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50364477
PNG
(CHEMBL1950706)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(Br)c1
Show InChI InChI=1S/C22H26BrN3O2/c1-14-9-11-25-21-18(26-15(2)6-5-10-24)13-19(27-3)22(20(14)21)28-17-8-4-7-16(23)12-17/h4,7-9,11-13,15,26H,5-6,10,24H2,1-3H3
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n/an/a 1.54E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50364481
PNG
(CHEMBL537735)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-17(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-18-7-6-15(23)11-16(18)24/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3
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n/an/a 1.54E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50364476
PNG
(CHEMBL1950705)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1Br
Show InChI InChI=1S/C22H26BrN3O2/c1-14-10-12-25-21-17(26-15(2)7-6-11-24)13-19(27-3)22(20(14)21)28-18-9-5-4-8-16(18)23/h4-5,8-10,12-13,15,26H,6-7,11,24H2,1-3H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387999
PNG
(CHEMBL2058703)
Show SMILES CNC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1 |w:5.5,t:2|
Show InChI InChI=1S/C13H11BrN4O/c1-15-13-17-10(12(19)18-13)5-7-6-16-9-4-2-3-8(14)11(7)9/h2-6,16H,1H3,(H2,15,17,18,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
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