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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'juárez-jiménez' and Initial = 'j'   
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


(Rattus norvegicus (rat))		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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 11n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat liver mitochondrial MAO-B using phenylethylamine as substrate by Line-Weaver Burk plot analysis

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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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 149n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Mixed type inhibition of Electrophorus electricus AchE using acetylthiocholine as substrate by Line-Weaver Burk plot analysis

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		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 5.20n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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 6.70n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50359396
PNG
(CHEMBL1929420 | US8999994, 5)
Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3
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n/an/a 6.70n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50359395
PNG
(CHEMBL1929422)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3
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n/an/a 10n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50359392
PNG
(CHEMBL1929424 | US8999994, 3)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3
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n/an/a 31n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
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 36n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		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 43n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448131
PNG
(CHEMBL3122167)
Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1
Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26)
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n/an/a 46n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50359390
PNG
(CHEMBL1929418 | CHEMBL2022924)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
Show InChI InChI=1S/C21H22N2O/c1-4-12-22(2)15-19-13-18-14-20(10-11-21(18)23(19)3)24-16-17-8-6-5-7-9-17/h1,5-11,13-14H,12,15-16H2,2-3H3
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n/an/a 63n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50359393
PNG
(CHEMBL1926712 | US8999994, 2)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3
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n/an/a 65n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50359397
PNG
(CHEMBL1929419 | US8999994, 4)
Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3
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n/an/a 82n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50359390
PNG
(CHEMBL1929418 | CHEMBL2022924)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
Show InChI InChI=1S/C21H22N2O/c1-4-12-22(2)15-19-13-18-14-20(10-11-21(18)23(19)3)24-16-17-8-6-5-7-9-17/h1,5-11,13-14H,12,15-16H2,2-3H3
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n/an/a 100n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 122n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of cerebral human recombinant AchE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 10 mins measured...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50359396
PNG
(CHEMBL1929420 | US8999994, 5)
Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3
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n/an/a 130n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50359394
PNG
(CHEMBL1929423 | US8999994, 1)
Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3
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n/an/a 140n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448132
PNG
(CHEMBL3122150)
Show SMILES CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H28ClN3/c1-2-30-18-21-10-15-26-25(17-21)28-24(27(31-26)22-11-13-23(29)14-12-22)9-6-16-32(28)19-20-7-4-3-5-8-20/h3-5,7-8,10-15,17,30H,2,6,9,16,18-19H2,1H3
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n/an/a 147n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448135
PNG
(CHEMBL3122166)
Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCNc3c2c1
Show InChI InChI=1S/C20H19N3O2/c1-2-25-20(24)13-7-8-17-16(11-13)19-15(6-4-10-22-19)18(23-17)14-5-3-9-21-12-14/h3,5,7-9,11-12,22H,2,4,6,10H2,1H3
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n/an/a 148n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359395
PNG
(CHEMBL1929422)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3
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n/an/a 260n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448138
PNG
(CHEMBL3122147)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1
Show InChI InChI=1S/C21H19ClN2O2/c1-2-26-21(25)14-7-10-18-17(12-14)20-16(4-3-11-23-20)19(24-18)13-5-8-15(22)9-6-13/h5-10,12,23H,2-4,11H2,1H3
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n/an/a 281n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359397
PNG
(CHEMBL1929419 | US8999994, 4)
Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3
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n/an/a 310n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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 350n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
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 380n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of cerebral human recombinant AchE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 10 mins measured...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359396
PNG
(CHEMBL1929420 | US8999994, 5)
Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3
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n/an/a 420n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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 460n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448130
PNG
(CHEMBL3122168)
Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3/c1-2-23-13-14-5-10-19-18(12-14)21-17(4-3-11-24-21)20(25-19)15-6-8-16(22)9-7-15/h5-10,12,23-24H,2-4,11,13H2,1H3
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n/an/a 532n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50359397
PNG
(CHEMBL1929419 | US8999994, 4)
Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3
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n/an/a 750n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50359394
PNG
(CHEMBL1929423 | US8999994, 1)
Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3
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n/an/a 800n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50359395
PNG
(CHEMBL1929422)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3
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n/an/a 990n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50359397
PNG
(CHEMBL1929419 | US8999994, 4)
Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50359394
PNG
(CHEMBL1929423 | US8999994, 1)
Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50359392
PNG
(CHEMBL1929424 | US8999994, 3)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
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 1.70E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448140
PNG
(CHEMBL3122145)
Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C27H25N3O2/c1-2-32-27(31)20-12-13-24-23(16-20)26-22(25(29-24)21-10-6-14-28-17-21)11-7-15-30(26)18-19-8-4-3-5-9-19/h3-6,8-10,12-14,16-17H,2,7,11,15,18H2,1H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50359396
PNG
(CHEMBL1929420 | US8999994, 5)
Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448134
PNG
(CHEMBL3122169)
Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-2-21-12-14-7-8-18-17(11-14)20-16(6-4-10-23-20)19(24-18)15-5-3-9-22-13-15/h3,5,7-9,11,13,21,23H,2,4,6,10,12H2,1H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50359393
PNG
(CHEMBL1926712 | US8999994, 2)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50343543
PNG
(CHEMBL499125 | N-(Hexahydro-2,5-methano-pentalen-3...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]C12[#6]-[#6]-3-[#6]-[#6]1-[#6]-[#6](-[#6]2)-[#6]-3 |TLB:10:9:13.11.12:6,THB:10:11:8.9:6|
Show InChI InChI=1S/C11H19N3/c12-10(13)14-6-11-4-7-1-8(5-11)3-9(11)2-7/h7-9H,1-6H2,(H4,12,13,14)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...

J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50359395
PNG
(CHEMBL1929422)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448133
PNG
(CHEMBL3122170)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCC(=O)N(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H23ClN2O3/c1-2-34-28(33)20-10-14-24-23(16-20)27-22(26(30-24)19-8-11-21(29)12-9-19)13-15-25(32)31(27)17-18-6-4-3-5-7-18/h3-12,14,16H,2,13,15,17H2,1H3
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n/an/a 5.21E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448136
PNG
(CHEMBL3122149)
Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H26ClN3O/c1-2-30-28(33)21-12-15-25-24(17-21)27-23(26(31-25)20-10-13-22(29)14-11-20)9-6-16-32(27)18-19-7-4-3-5-8-19/h3-5,7-8,10-15,17H,2,6,9,16,18H2,1H3,(H,30,33)
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n/an/a 5.48E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448141
PNG
(CHEMBL3122172)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C28H25ClN2O2/c1-2-33-28(32)21-12-15-25-24(17-21)27-23(26(30-25)20-10-13-22(29)14-11-20)9-6-16-31(27)18-19-7-4-3-5-8-19/h3-5,7-8,10-15,17H,2,6,9,16,18H2,1H3
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n/an/a 6.33E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50448139
PNG
(CHEMBL3122146)
Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(cc3)C(=O)OC)c3CCCN(Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C30H28N2O4/c1-3-36-30(34)23-15-16-26-25(18-23)28-24(10-7-17-32(28)19-20-8-5-4-6-9-20)27(31-26)21-11-13-22(14-12-21)29(33)35-2/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3
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n/an/a 6.62E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...

Eur J Med Chem 73: 141-52 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.008
BindingDB Entry DOI: 10.7270/Q2CF9RKN
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50343541
PNG
(C-(Hexahydro-2,5-methano-pentalen-3a-yl)-methylami...)
Show SMILES NCC12CC3CC1CC(C2)C3 |TLB:3:2:10.4.5:7,THB:3:4:7:9.2,1:2:10.4.5:7|
Show InChI InChI=1S/C10H17N/c11-6-10-4-7-1-8(5-10)3-9(10)2-7/h7-9H,1-6,11H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...

J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50343546
PNG
(C-(2,5-Dimethyl-hexahydro-2,5-cyclo-pentalen-3a-yl...)
Show SMILES CC12CC3CC1(C)CC3(CN)C2 |TLB:9:8:5.4:2,THB:7:5:2:11.8,7:8:5.4:2|
Show InChI InChI=1S/C11H19N/c1-9-3-8-4-10(9,2)6-11(8,5-9)7-12/h8H,3-7,12H2,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...

J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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 7.40E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50359392
PNG
(CHEMBL1929424 | US8999994, 3)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50359393
PNG
(CHEMBL1926712 | US8999994, 2)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting

J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50343544
PNG
(CHEMBL1774313 | rac-1-(Hexahydro-2,5-methano-penta...)
Show SMILES CC(N)C12CC3CC1CC(C2)C3 |TLB:8:7:11.9.10:4,THB:8:9:4:6.7|
Show InChI InChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...

J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
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