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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'leader' and Initial = 'h'   
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
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1.60n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018230
PNG
(2-(4-Methylcarbamoyloxy-phenyl)-2-phenyl-propionic...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1
Show InChI InChI=1S/C23H30N2O4/c1-5-25(6-2)16-17-28-21(26)23(3,18-10-8-7-9-11-18)19-12-14-20(15-13-19)29-22(27)24-4/h7-15H,5-6,16-17H2,1-4H3,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 subtype.


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine rec...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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2.40n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005684
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-diethylamin...)
Show SMILES CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(5-2)17-12-18-25-21(24)22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005684
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-diethylamin...)
Show SMILES CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(5-2)17-12-18-25-21(24)22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005684
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-diethylamin...)
Show SMILES CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(5-2)17-12-18-25-21(24)22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
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4.60n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018229
PNG
(2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c1-4-22(5-2)15-16-25-20(24)21(3,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,23H,4-5,15-16H2,1-3H3
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5.60n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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7.40n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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7.70n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine rec...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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9.30n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine rec...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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9.90n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Muscarinic acetylcholine receptor M...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005684
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-diethylamin...)
Show SMILES CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(5-2)17-12-18-25-21(24)22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
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20n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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23n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50018230
PNG
(2-(4-Methylcarbamoyloxy-phenyl)-2-phenyl-propionic...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1
Show InChI InChI=1S/C23H30N2O4/c1-5-25(6-2)16-17-28-21(26)23(3,18-10-8-7-9-11-18)19-12-14-20(15-13-19)29-22(27)24-4/h7-15H,5-6,16-17H2,1-4H3,(H,24,27)
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26n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
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27n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005682
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-dimethylami...)
Show SMILES CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)24-17-11-10-16-22(2)3/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3
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31n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005682
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-dimethylami...)
Show SMILES CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)24-17-11-10-16-22(2)3/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3
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41n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018225
PNG
(2-(4-Dimethylcarbamoyloxy-phenyl)-2-phenyl-propion...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1
Show InChI InChI=1S/C24H32N2O4/c1-6-26(7-2)17-18-29-22(27)24(3,19-11-9-8-10-12-19)20-13-15-21(16-14-20)30-23(28)25(4)5/h8-16H,6-7,17-18H2,1-5H3
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42n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 subtype.


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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51n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005682
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-dimethylami...)
Show SMILES CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)24-17-11-10-16-22(2)3/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3
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66n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50018229
PNG
(2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c1-4-22(5-2)15-16-25-20(24)21(3,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,23H,4-5,15-16H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005683
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-diethylamin...)
Show SMILES CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
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111n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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120n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the muscarinic acetylcholine r...


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50018225
PNG
(2-(4-Dimethylcarbamoyloxy-phenyl)-2-phenyl-propion...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1
Show InChI InChI=1S/C24H32N2O4/c1-6-26(7-2)17-18-29-22(27)24(3,19-11-9-8-10-12-19)20-13-15-21(16-14-20)30-23(28)25(4)5/h8-16H,6-7,17-18H2,1-5H3
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150n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005683
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-diethylamin...)
Show SMILES CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
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160n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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170n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the muscarinic acetylcholine receptor M1


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005680
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 5-diethylamin...)
Show SMILES CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
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173n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005680
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 5-diethylamin...)
Show SMILES CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
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178n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005683
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-diethylamin...)
Show SMILES CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
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209n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005680
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 5-diethylamin...)
Show SMILES CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
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246n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005683
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-diethylamin...)
Show SMILES CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
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248n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005682
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-dimethylami...)
Show SMILES CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)24-17-11-10-16-22(2)3/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3
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258n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005680
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 5-diethylamin...)
Show SMILES CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
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298n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50018226
PNG
(2-(4-Dimethylcarbamoyloxy-phenyl)-2-(4-hydroxy-phe...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1
Show InChI InChI=1S/C24H32N2O5/c1-6-26(7-2)16-17-30-22(28)24(3,18-8-12-20(27)13-9-18)19-10-14-21(15-11-19)31-23(29)25(4)5/h8-15,27H,6-7,16-17H2,1-5H3
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800n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50018225
PNG
(2-(4-Dimethylcarbamoyloxy-phenyl)-2-phenyl-propion...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1
Show InChI InChI=1S/C24H32N2O4/c1-6-26(7-2)17-18-29-22(27)24(3,19-11-9-8-10-12-19)20-13-15-21(16-14-20)30-23(28)25(4)5/h8-16H,6-7,17-18H2,1-5H3
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1.30E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50018230
PNG
(2-(4-Methylcarbamoyloxy-phenyl)-2-phenyl-propionic...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1
Show InChI InChI=1S/C23H30N2O4/c1-5-25(6-2)16-17-28-21(26)23(3,18-10-8-7-9-11-18)19-12-14-20(15-13-19)29-22(27)24-4/h7-15H,5-6,16-17H2,1-4H3,(H,24,27)
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1.40E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50018227
PNG
(2,2-Bis-(4-hydroxy-phenyl)-propionic acid 2-diethy...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO4/c1-4-22(5-2)14-15-26-20(25)21(3,16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h6-13,23-24H,4-5,14-15H2,1-3H3
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2.10E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018226
PNG
(2-(4-Dimethylcarbamoyloxy-phenyl)-2-(4-hydroxy-phe...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1
Show InChI InChI=1S/C24H32N2O5/c1-6-26(7-2)16-17-30-22(28)24(3,18-8-12-20(27)13-9-18)19-10-14-21(15-11-19)31-23(29)25(4)5/h8-15,27H,6-7,16-17H2,1-5H3
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2.40E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50109574
PNG
(3-Dimethylcarbamoyloxy-2-(2,2-diphenyl-propionylox...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27N2O4/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3/h5-17H,18H2,1-4H3/q+1
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3.14E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Butyrylcholinesterase (BChE)


J Med Chem 45: 902-10 (2002)


BindingDB Entry DOI: 10.7270/Q22B8ZR5
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50018226
PNG
(2-(4-Dimethylcarbamoyloxy-phenyl)-2-(4-hydroxy-phe...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1
Show InChI InChI=1S/C24H32N2O5/c1-6-26(7-2)16-17-30-22(28)24(3,18-8-12-20(27)13-9-18)19-10-14-21(15-11-19)31-23(29)25(4)5/h8-15,27H,6-7,16-17H2,1-5H3
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3.40E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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3.50E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50018228
PNG
(2,2-Bis-(4-dimethylcarbamoyloxy-phenyl)-propionic ...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(OC(=O)N(C)C)cc1)c1ccc(OC(=O)N(C)C)cc1
Show InChI InChI=1S/C27H37N3O6/c1-8-30(9-2)18-19-34-24(31)27(3,20-10-14-22(15-11-20)35-25(32)28(4)5)21-12-16-23(17-13-21)36-26(33)29(6)7/h10-17H,8-9,18-19H2,1-7H3
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4.60E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018227
PNG
(2,2-Bis-(4-hydroxy-phenyl)-propionic acid 2-diethy...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO4/c1-4-22(5-2)14-15-26-20(25)21(3,16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h6-13,23-24H,4-5,14-15H2,1-3H3
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4.90E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
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