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BDBM50073496 1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-carboxylic acid octyl ester; oxalic acid::CHEMBL118241

SMILES: CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1

InChI Key: InChIKey=IVUOMTRDHAJWCR-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 = 50073496   
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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50073496
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
Show InChI InChI=1S/C22H33NO2/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19/h9-11,13-15,21H,3-8,12,16-18H2,1-2H3
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PC cid
PC sid
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Article
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n/an/a 401n/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))
BDBM50073496
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
Show InChI InChI=1S/C22H33NO2/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19/h9-11,13-15,21H,3-8,12,16-18H2,1-2H3
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 774n/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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50073496
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
Show InChI InChI=1S/C22H33NO2/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19/h9-11,13-15,21H,3-8,12,16-18H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/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 M3


(Homo sapiens (Human))
BDBM50073496
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
Show InChI InChI=1S/C22H33NO2/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19/h9-11,13-15,21H,3-8,12,16-18H2,1-2H3
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n/an/a 676n/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))
BDBM50073496
PNG
(1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-car...)
Show SMILES CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
Show InChI InChI=1S/C22H33NO2/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19/h9-11,13-15,21H,3-8,12,16-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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 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