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BDBM50073479 1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-carboxylic acid cyclohexyl ester; oxalic acid::CHEMBL324936

SMILES: CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1

InChI Key: InChIKey=DZSCHRPHQBQAFZ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50073479   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50073479
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H27NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,13,17,19H,2,4,7-8,11-12,14-15H2,1H3
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PC sid
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n/an/a 299n/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 M1


(Homo sapiens (Human))
BDBM50073479
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H27NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,13,17,19H,2,4,7-8,11-12,14-15H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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 M4


(Homo sapiens (Human))
BDBM50073479
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H27NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,13,17,19H,2,4,7-8,11-12,14-15H2,1H3
Reactome pathway
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PC sid
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n/an/a 109n/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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50073479
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H27NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,13,17,19H,2,4,7-8,11-12,14-15H2,1H3
Reactome pathway
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PC sid
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n/an/a 63n/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 M2


(Homo sapiens (Human))
BDBM50073479
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H27NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,13,17,19H,2,4,7-8,11-12,14-15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 274n/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