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67 similar compounds to monomer 50070098

Compile data set for download or QSAR
Wt: 300.3
BDBM50095878
Wt: 600.5
BDBM50060160
Wt: 508.4
BDBM50060161
Wt: 561.4
BDBM50060162
Wt: 449.3
BDBM50146862
Wt: 314.4
BDBM50095875
Wt: 301.7
BDBM50046875
Wt: 297.3
BDBM50046876
Wt: 273.2
BDBM50046877
Wt: 289.6
BDBM50046878
Wt: 289.6
BDBM50046879
Wt: 306.1
BDBM50046880
Wt: 320.1
BDBM50046882
Purchase
Wt: 306.1
BDBM50046883
Wt: 306.1
BDBM50046884
Displayed 1 to 15 (of 62 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 50095878,50060160,50060161,50060162,50146862,50095875,50046875,50046876,50046877,50046878,50046879,50046880,50046882,50046883,50046884   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50060161
PNG
((S)-2-{[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NP(O)(=O)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H25N6O8P/c1-12-10-26(20(29)22-18(12)27)17-9-14(23-25-21)16(34-17)11-33-35(30,31)24-15(19(28)32-2)8-13-6-4-3-5-7-13/h3-7,10,14-17H,8-9,11H2,1-2H3,(H,22,27,29)(H2,24,30,31)/t14?,15-,16?,17?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of the compound towards HIV-reverse transcriptase


Bioorg Med Chem Lett 5: 1819-1824 (1995)


Article DOI: 10.1016/0960-894X(95)00302-A
BindingDB Entry DOI: 10.7270/Q23T9H64
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.679n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50060160
PNG
((S)-2-[[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(OCCC#N)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C25H29N8O8P/c1-15-13-33(25(36)29-23(15)34)22-11-19(30-32-27)21(41-22)14-40-42(37,39-9-5-8-26)31-20(24(35)38-2)10-16-12-28-18-7-4-3-6-17(16)18/h3-4,6-7,12-13,19-22,28H,5,9-11,14H2,1-2H3,(H,31,37)(H,29,34,36)/t19?,20-,21?,22?,42?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of the compound towards HIV-reverse transcriptase


Bioorg Med Chem Lett 5: 1819-1824 (1995)


Article DOI: 10.1016/0960-894X(95)00302-A
BindingDB Entry DOI: 10.7270/Q23T9H64
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50146862
PNG
(1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...)
Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12
Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards Electrophorus electricus acetylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50146862
PNG
(1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...)
Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12
Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)
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University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards mouse butyrylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50146862
PNG
(1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...)
Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12
Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards calf serum acetylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046884
PNG
(CHEMBL3319241)
Show SMILES Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(13(11)16)14(20)18-9-4-5-12-8(6-9)7-17-19-12/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
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n/an/a 22n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 8.90n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 138n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046884
PNG
(CHEMBL3319241)
Show SMILES Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(13(11)16)14(20)18-9-4-5-12-8(6-9)7-17-19-12/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
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n/an/a 3.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
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n/an/a 185n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 1.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.668n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.679n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.80n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
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n/an/a 882n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046884
PNG
(CHEMBL3319241)
Show SMILES Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(13(11)16)14(20)18-9-4-5-12-8(6-9)7-17-19-12/h1-7H,(H,17,19)(H,18,20)
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n/an/a 2.59E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 12n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046884
PNG
(CHEMBL3319241)
Show SMILES Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(13(11)16)14(20)18-9-4-5-12-8(6-9)7-17-19-12/h1-7H,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095875
PNG
(CHEMBL3590632)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H26N2O2/c1-6-7-11-21-16-13(2)9-8-10-14(16)17(22)15(18(21)23)12-20-19(3,4)5/h8-10,12,20H,6-7,11H2,1-5H3/b15-12+
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n/an/an/an/a 20n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095878
PNG
(CHEMBL3590629)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H24N2O2/c1-5-6-10-20-16-13(4)8-7-9-14(16)17(21)15(18(20)22)11-19-12(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3/b15-11+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095875
PNG
(CHEMBL3590632)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H26N2O2/c1-6-7-11-21-16-13(2)9-8-10-14(16)17(22)15(18(21)23)12-20-19(3,4)5/h8-10,12,20H,6-7,11H2,1-5H3/b15-12+
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n/an/an/an/a 20n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095875
PNG
(CHEMBL3590632)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H26N2O2/c1-6-7-11-21-16-13(2)9-8-10-14(16)17(22)15(18(21)23)12-20-19(3,4)5/h8-10,12,20H,6-7,11H2,1-5H3/b15-12+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095878
PNG
(CHEMBL3590629)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H24N2O2/c1-5-6-10-20-16-13(4)8-7-9-14(16)17(21)15(18(20)22)11-19-12(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3/b15-11+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50146862
PNG
(1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...)
Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12
Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards beef erythrocytes acetylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50146862
PNG
(1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...)
Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12
Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards human butyrylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 6.60n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
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