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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'wang' and Initial = 'kd'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50079508
PNG
(CHEMBL3417300)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C33H40N4O3/c1-23-24(2)33(38)40-31-22-25(12-13-26(23)31)39-21-20-37-18-16-36(17-19-37)15-7-14-34-32-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)32/h3,5,8,10,12-13,22H,4,6-7,9,11,14-21H2,1-2H3,(H,34,35)
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 34n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE by Lineweaver-Burk plot analysis

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50282506
PNG
(7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-...)
Show SMILES CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3
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n/an/a 0.900n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199097
PNG
(CHEMBL3911291)
Show SMILES CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
Show InChI InChI=1S/C15H13ClO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fl...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199101
PNG
(CHEMBL3920226)
Show SMILES CC(=O)c1ccc(OCc2cccc(F)c2)cc1O
Show InChI InChI=1S/C15H13FO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fl...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50409097
PNG
(CHEMBL108697)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50282510
PNG
(7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199094
PNG
(CHEMBL3948027)
Show SMILES CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O
Show InChI InChI=1S/C15H13FO3/c1-10(17)14-7-6-13(8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,18H,9H2,1H3
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n/an/a 3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fl...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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n/an/a 4.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50409097
PNG
(CHEMBL108697)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50073116
PNG
(CHEMBL3410952)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199103
PNG
(CHEMBL3938837)
Show SMILES FC(F)(F)c1ccc(COc2ccc3C(=O)OCc3c2)cc1
Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-3-1-10(2-4-12)8-21-13-5-6-14-11(7-13)9-22-15(14)20/h1-7H,8-9H2
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n/an/a 6.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50282510
PNG
(7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50017427
PNG
(CHEMBL3288295)
Show SMILES Clc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Show InChI InChI=1S/C17H15ClO2/c18-14-6-4-12(5-7-14)11-20-15-8-9-16-13(10-15)2-1-3-17(16)19/h4-10H,1-3,11H2
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n/an/a 7.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM92663
PNG
(C7-substituted chromone derivative, 3n)
Show SMILES FC(F)(F)c1ccc(COc2ccc3c(c2)occc3=O)cc1
Show InChI InChI=1S/C17H11F3O3/c18-17(19,20)12-3-1-11(2-4-12)10-23-13-5-6-14-15(21)7-8-22-16(14)9-13/h1-9H,10H2
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n/an/a 8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in insect cell microsomes using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline pr...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199104
PNG
(CHEMBL2430707)
Show SMILES Brc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
Show InChI InChI=1S/C16H14BrNO2/c17-13-3-1-2-11(8-13)10-20-14-6-4-12-5-7-16(19)18-15(12)9-14/h1-4,6,8-9H,5,7,10H2,(H,18,19)
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n/an/a 8.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199106
PNG
(CHEMBL3929816)
Show SMILES Fc1ccc(COc2ccc3C(=O)OCc3c2)cc1
Show InChI InChI=1S/C15H11FO3/c16-12-3-1-10(2-4-12)8-18-13-5-6-14-11(7-13)9-19-15(14)17/h1-7H,8-9H2
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50441841
PNG
(CHEMBL2436691)
Show SMILES COc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Show InChI InChI=1S/C33H40N4O4/c1-39-30-22-24(23-31-32(30)29(38)12-21-41-31)40-20-7-15-37-18-16-36(17-19-37)14-6-13-34-33-25-8-2-4-10-27(25)35-28-11-5-3-9-26(28)33/h2,4,8,10,12,21-23H,3,5-7,9,11,13-20H2,1H3,(H,34,35)
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method

Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 9.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50441840
PNG
(CHEMBL2436692)
Show SMILES O=c1ccoc2cc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H38N4O3/c37-30-13-22-39-31-23-24(11-12-27(30)31)38-21-6-16-36-19-17-35(18-20-36)15-5-14-33-32-25-7-1-3-9-28(25)34-29-10-4-2-8-26(29)32/h1,3,7,9,11-13,22-23H,2,4-6,8,10,14-21H2,(H,33,34)
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method

Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50073115
PNG
(CHEMBL3410953)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199095
PNG
(CHEMBL3771110)
Show SMILES CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C15H13ClO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50337524
PNG
(7-(4-fluorobenzyloxy)chroman-4-one | CHEMBL1682819)
Show SMILES Fc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
Show InChI InChI=1S/C16H13FO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-14-15(18)7-8-19-16(14)9-13/h1-6,9H,7-8,10H2
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199110
PNG
(CHEMBL3741461)
Show SMILES CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1
Show InChI InChI=1S/C18H17FO3/c1-18(2)10-16(20)15-8-7-14(9-17(15)22-18)21-11-12-3-5-13(19)6-4-12/h3-9H,10-11H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199108
PNG
(CHEMBL3919232)
Show SMILES CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1F
Show InChI InChI=1S/C15H12ClFO2/c1-10(18)14-6-5-13(8-15(14)17)19-9-11-3-2-4-12(16)7-11/h2-8H,9H2,1H3
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50017425
PNG
(CHEMBL3288293)
Show SMILES Fc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Show InChI InChI=1S/C17H15FO2/c18-14-6-4-12(5-7-14)11-20-15-8-9-16-13(10-15)2-1-3-17(16)19/h4-10H,1-3,11H2
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199091
PNG
(CHEMBL3910900)
Show SMILES Clc1ccc(COc2ccc3C(=O)OCc3c2)cc1
Show InChI InChI=1S/C15H11ClO3/c16-12-3-1-10(2-4-12)8-18-13-5-6-14-11(7-13)9-19-15(14)17/h1-7H,8-9H2
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199105
PNG
(CHEMBL2430706)
Show SMILES Clc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
Show InChI InChI=1S/C16H14ClNO2/c17-13-3-1-2-11(8-13)10-20-14-6-4-12-5-7-16(19)18-15(12)9-14/h1-4,6,8-9H,5,7,10H2,(H,18,19)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50441842
PNG
(CHEMBL2436690)
Show SMILES Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Show InChI InChI=1S/C32H38N4O4/c37-28-11-20-40-30-22-23(21-29(38)31(28)30)39-19-6-14-36-17-15-35(16-18-36)13-5-12-33-32-24-7-1-3-9-26(24)34-27-10-4-2-8-25(27)32/h1,3,7,9,11,20-22,38H,2,4-6,8,10,12-19H2,(H,33,34)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method

Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199100
PNG
(CHEMBL3770015)
Show SMILES CC(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50079508
PNG
(CHEMBL3417300)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C33H40N4O3/c1-23-24(2)33(38)40-31-22-25(12-13-26(23)31)39-21-20-37-18-16-36(17-19-37)15-7-14-34-32-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)32/h3,5,8,10,12-13,22H,4,6-7,9,11,14-21H2,1-2H3,(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs b...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50073116
PNG
(CHEMBL3410952)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50079522
PNG
(CHEMBL3417311)
Show SMILES O=c1ccc2ccc(OCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Show InChI InChI=1S/C31H36N4O3/c36-30-13-11-23-10-12-24(22-29(23)38-30)37-21-5-15-34-17-19-35(20-18-34)16-14-32-31-25-6-1-3-8-27(25)33-28-9-4-2-7-26(28)31/h1,3,6,8,10-13,22H,2,4-5,7,9,14-21H2,(H,32,33)
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to ...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363844
PNG
(CHEMBL1945157)
Show SMILES Fc1ccc(COc2ccc3occc(=O)c3c2)cc1
Show InChI InChI=1S/C16H11FO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-16-14(9-13)15(18)7-8-19-16/h1-9H,10H2
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM92653
PNG
(C7-substituted chromone derivative, 3d)
Show SMILES Clc1cccc(COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C16H11ClO3/c17-12-3-1-2-11(8-12)10-20-13-4-5-14-15(18)6-7-19-16(14)9-13/h1-9H,10H2
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in insect cell microsomes using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline pr...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50079515
PNG
(CHEMBL3417307)
Show SMILES O=c1ccc2ccc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Show InChI InChI=1S/C31H36N4O3/c36-30-13-11-23-10-12-24(22-29(23)38-30)37-21-20-35-18-16-34(17-19-35)15-5-14-32-31-25-6-1-3-8-27(25)33-28-9-4-2-7-26(28)31/h1,3,6,8,10-13,22H,2,4-5,7,9,14-21H2,(H,32,33)
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n/an/a 18n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50073113
PNG
(CHEMBL3410955)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-22-23(2)32-25(24(3)31(22)38)18-19-34(4,40-32)33(39)36-21-13-7-5-6-12-20-35-30-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)30/h8,10,14,16,38H,5-7,9,11-13,15,17-21H2,1-4H3,(H,35,37)(H,36,39)
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n/an/a 19n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to ...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))		BDBM50079518
PNG
(CHEMBL3417310)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Show InChI InChI=1S/C32H38N4O3/c37-31-14-12-24-11-13-25(23-30(24)39-31)38-22-6-5-16-35-18-20-36(21-19-35)17-15-33-32-26-7-1-3-9-28(26)34-29-10-4-2-8-27(29)32/h1,3,7,9,11-14,23H,2,4-6,8,10,15-22H2,(H,33,34)
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to ...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50079513
PNG
(CHEMBL3417305)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Show InChI InChI=1S/C33H40N4O3/c38-32-15-13-25-12-14-26(24-31(25)40-32)39-23-6-5-17-36-19-21-37(22-20-36)18-7-16-34-33-27-8-1-3-10-29(27)35-30-11-4-2-9-28(30)33/h1,3,8,10,12-15,24H,2,4-7,9,11,16-23H2,(H,34,35)
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n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to ...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 24n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method

Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50079514
PNG
(CHEMBL3417306)
Show SMILES O=c1ccc2ccc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Show InChI InChI=1S/C32H38N4O3/c37-31-14-12-24-11-13-25(23-30(24)39-31)38-22-6-17-36-20-18-35(19-21-36)16-5-15-33-32-26-7-1-3-9-28(26)34-29-10-4-2-8-27(29)32/h1,3,7,9,11-14,23H,2,4-6,8,10,15-22H2,(H,33,34)
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n/an/a 24n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50079506
PNG
(CHEMBL3417299)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H37ClN4O3/c1-22-24-12-11-23(21-29(24)40-32(38)30(22)33)39-20-19-37-17-15-36(16-18-37)14-6-13-34-31-25-7-2-4-9-27(25)35-28-10-5-3-8-26(28)31/h2,4,7,9,11-12,21H,3,5-6,8,10,13-20H2,1H3,(H,34,35)
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n/an/a 24n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs b...

Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199109
PNG
(CHEMBL3771258)
Show SMILES CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H13ClO2/c1-11(17)13-5-7-15(8-6-13)18-10-12-3-2-4-14(16)9-12/h2-9H,10H2,1H3
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363840
PNG
(CHEMBL1945153)
Show SMILES Clc1ccc(COc2ccc3occc(=O)c3c2)cc1
Show InChI InChI=1S/C16H11ClO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-16-14(9-13)15(18)7-8-19-16/h1-9H,10H2
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50199097
PNG
(CHEMBL3911291)
Show SMILES CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
Show InChI InChI=1S/C15H13ClO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...

Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
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