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PubMed code 25418133

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
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n/an/a 4.10n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
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 4.70n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069802
PNG
(CHEMBL3407581)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3
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n/an/a 6.30n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM36552
PNG
(Prochelators, 2)
Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
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n/an/a 7.70n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of rat MAO-A


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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 18n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50359391
PNG
(CHEMBL1929421)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
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n/an/a 58n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069802
PNG
(CHEMBL3407581)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3
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n/an/a 184n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069808
PNG
(CHEMBL3407582)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C
Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3
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n/an/a 196n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069808
PNG
(CHEMBL3407582)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C
Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3
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n/an/a 258n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
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n/an/a 287n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM36552
PNG
(Prochelators, 2)
Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
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n/an/a 520n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069804
PNG
(CHEMBL3407586)
Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C26H32N2O3/c1-2-30-26(29)25-18-22-17-23(10-11-24(22)27-25)31-16-6-9-20-12-14-28(15-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,20,27H,2,6,9,12-16,19H2,1H3
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n/an/a 877n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069804
PNG
(CHEMBL3407586)
Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C26H32N2O3/c1-2-30-26(29)25-18-22-17-23(10-11-24(22)27-25)31-16-6-9-20-12-14-28(15-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,20,27H,2,6,9,12-16,19H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50359391
PNG
(CHEMBL1929421)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50069802
PNG
(CHEMBL3407581)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50359391
PNG
(CHEMBL1929421)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50359391
PNG
(CHEMBL1929421)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50069805
PNG
(CHEMBL3407585)
Show SMILES C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H35N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h2-5,7-8,10-11,18-19,22,28-29H,1,6,9,12-17,20-21H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50069802
PNG
(CHEMBL3407581)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50069806
PNG
(CHEMBL3407584)
Show SMILES C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H33N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h1,3-5,7-8,10-11,18-19,22,28-29H,6,9,12-17,20-21H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50069808
PNG
(CHEMBL3407582)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C
Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069802
PNG
(CHEMBL3407581)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Reversible inhibition of human MAO-A expressed in baculovirus infected BTI insect cells


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50069807
PNG
(CHEMBL3407583)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C28H35N3O/c1-3-15-30(2)22-26-19-25-20-27(11-12-28(25)29-26)32-18-7-10-23-13-16-31(17-14-23)21-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50069806
PNG
(CHEMBL3407584)
Show SMILES C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H33N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h1,3-5,7-8,10-11,18-19,22,28-29H,6,9,12-17,20-21H2
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n/an/a 7.30E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM36552
PNG
(Prochelators, 2)
Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of rat MAO-B


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM36552
PNG
(Prochelators, 2)
Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069811
PNG
(CHEMBL3407588)
Show SMILES COc1ccc(CN2CCC(CCCOc3ccc4n(C)c(CN(C)CC#C)cc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C33H40N4O2/c1-5-17-35(2)24-28-21-27-22-29(11-12-31(27)36(28)3)39-20-7-8-25-14-18-37(19-15-25)23-26-10-13-32(38-4)33-30(26)9-6-16-34-33/h1,6,9-13,16,21-22,25H,7-8,14-15,17-20,23-24H2,2-4H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50069808
PNG
(CHEMBL3407582)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C
Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069803
PNG
(CHEMBL3407587)
Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069807
PNG
(CHEMBL3407583)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C28H35N3O/c1-3-15-30(2)22-26-19-25-20-27(11-12-28(25)29-26)32-18-7-10-23-13-16-31(17-14-23)21-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50069804
PNG
(CHEMBL3407586)
Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C26H32N2O3/c1-2-30-26(29)25-18-22-17-23(10-11-24(22)27-25)31-16-6-9-20-12-14-28(15-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,20,27H,2,6,9,12-16,19H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50069804
PNG
(CHEMBL3407586)
Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C26H32N2O3/c1-2-30-26(29)25-18-22-17-23(10-11-24(22)27-25)31-16-6-9-20-12-14-28(15-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,20,27H,2,6,9,12-16,19H2,1H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069811
PNG
(CHEMBL3407588)
Show SMILES COc1ccc(CN2CCC(CCCOc3ccc4n(C)c(CN(C)CC#C)cc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C33H40N4O2/c1-5-17-35(2)24-28-21-27-22-29(11-12-31(27)36(28)3)39-20-7-8-25-14-18-37(19-15-25)23-26-10-13-32(38-4)33-30(26)9-6-16-34-33/h1,6,9-13,16,21-22,25H,7-8,14-15,17-20,23-24H2,2-4H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069803
PNG
(CHEMBL3407587)
Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2
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n/an/a 1.35E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50069803
PNG
(CHEMBL3407587)
Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2
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n/an/a 1.36E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50069807
PNG
(CHEMBL3407583)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C28H35N3O/c1-3-15-30(2)22-26-19-25-20-27(11-12-28(25)29-26)32-18-7-10-23-13-16-31(17-14-23)21-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 1.54E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069806
PNG
(CHEMBL3407584)
Show SMILES C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H33N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h1,3-5,7-8,10-11,18-19,22,28-29H,6,9,12-17,20-21H2
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n/an/a 1.92E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069805
PNG
(CHEMBL3407585)
Show SMILES C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H35N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h2-5,7-8,10-11,18-19,22,28-29H,1,6,9,12-17,20-21H2
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n/an/a 2.13E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50069803
PNG
(CHEMBL3407587)
Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2
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n/an/a 3.12E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069806
PNG
(CHEMBL3407584)
Show SMILES C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H33N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h1,3-5,7-8,10-11,18-19,22,28-29H,6,9,12-17,20-21H2
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n/an/a 3.36E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069807
PNG
(CHEMBL3407583)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C28H35N3O/c1-3-15-30(2)22-26-19-25-20-27(11-12-28(25)29-26)32-18-7-10-23-13-16-31(17-14-23)21-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50069805
PNG
(CHEMBL3407585)
Show SMILES C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H35N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h2-5,7-8,10-11,18-19,22,28-29H,1,6,9,12-17,20-21H2
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n/an/a 4.06E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069805
PNG
(CHEMBL3407585)
Show SMILES C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C27H35N3O/c1-2-14-28-20-25-18-24-19-26(10-11-27(24)29-25)31-17-6-9-22-12-15-30(16-13-22)21-23-7-4-3-5-8-23/h2-5,7-8,10-11,18-19,22,28-29H,1,6,9,12-17,20-21H2
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n/an/a 4.53E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
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 6.36E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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 6.58E+4n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069810
PNG
(CHEMBL3407589)
Show SMILES COc1ccc(COc2ccc3[nH]c(CN(C)CC#C)cc3c2)c2cccnc12
Show InChI InChI=1S/C24H23N3O2/c1-4-12-27(2)15-19-13-18-14-20(8-9-22(18)26-19)29-16-17-7-10-23(28-3)24-21(17)6-5-11-25-24/h1,5-11,13-14,26H,12,15-16H2,2-3H3
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n/an/a 1.65E+5n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069809
PNG
(CHEMBL3407590)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C
Show InChI InChI=1S/C27H28N4O3/c1-6-14-30(4)17-21-15-20-16-22(10-11-24(20)31(21)5)33-18-19-9-12-25(34-27(32)29(2)3)26-23(19)8-7-13-28-26/h1,7-13,15-16H,14,17-18H2,2-5H3
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n/an/a 2.73E+5n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069809
PNG
(CHEMBL3407590)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C
Show InChI InChI=1S/C27H28N4O3/c1-6-14-30(4)17-21-15-20-16-22(10-11-24(20)31(21)5)33-18-19-9-12-25(34-27(32)29(2)3)26-23(19)8-7-13-28-26/h1,7-13,15-16H,14,17-18H2,2-5H3
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n/an/a 3.11E+5n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069810
PNG
(CHEMBL3407589)
Show SMILES COc1ccc(COc2ccc3[nH]c(CN(C)CC#C)cc3c2)c2cccnc12
Show InChI InChI=1S/C24H23N3O2/c1-4-12-27(2)15-19-13-18-14-20(8-9-22(18)26-19)29-16-17-7-10-23(28-3)24-21(17)6-5-11-25-24/h1,5-11,13-14,26H,12,15-16H2,2-3H3
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n/an/a 6.30E+5n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%