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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 287.3
BDBM50073504

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
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 M1


(Homo sapiens (Human))
BDBM50073504
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3
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n/an/a 128n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M1 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50073504
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3
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n/an/a 559n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M5 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50073504
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3
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n/an/a 845n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS binding to human Muscarinic acetylcholine receptor M3 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50073504
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3
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n/an/a 897n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M4 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50073504
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3
PDB

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Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M2 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair