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BDBM50073478 1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid 4-phenyl-butyl ester; oxalic acid::CHEMBL333125

SMILES: CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1

InChI Key: InChIKey=XAPDCGAVGSRGKC-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 = 50073478   
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 M4


(Homo sapiens (Human))
BDBM50073478
PNG
(1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H29NO2/c1-2-25-17-16-22(21-14-7-4-8-15-21)23(19-25)24(26)27-18-10-9-13-20-11-5-3-6-12-20/h3-8,11-12,14-15H,2,9-10,13,16-19H2,1H3
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Article
PubMed
n/an/a 2.78E+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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50073478
PNG
(1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H29NO2/c1-2-25-17-16-22(21-14-7-4-8-15-21)23(19-25)24(26)27-18-10-9-13-20-11-5-3-6-12-20/h3-8,11-12,14-15H,2,9-10,13,16-19H2,1H3
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PubMed
n/an/a 2.16E+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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50073478
PNG
(1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H29NO2/c1-2-25-17-16-22(21-14-7-4-8-15-21)23(19-25)24(26)27-18-10-9-13-20-11-5-3-6-12-20/h3-8,11-12,14-15H,2,9-10,13,16-19H2,1H3
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PubMed
n/an/a 1.84E+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 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 M5


(Homo sapiens (Human))
BDBM50073478
PNG
(1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H29NO2/c1-2-25-17-16-22(21-14-7-4-8-15-21)23(19-25)24(26)27-18-10-9-13-20-11-5-3-6-12-20/h3-8,11-12,14-15H,2,9-10,13,16-19H2,1H3
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Article
PubMed
n/an/a 842n/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 M1


(Homo sapiens (Human))
BDBM50073478
PNG
(1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-car...)
Show SMILES CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H29NO2/c1-2-25-17-16-22(21-14-7-4-8-15-21)23(19-25)24(26)27-18-10-9-13-20-11-5-3-6-12-20/h3-8,11-12,14-15H,2,9-10,13,16-19H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/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