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BDBM50073470 (3R,4R)-1-Ethyl-4-phenyl-piperidine-3-carboxylic acid hexyl ester; oxalic acid::CHEMBL340780

SMILES: CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1

InChI Key: InChIKey=GZRIGDJQQNOXAM-OALUTQOASA-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 = 50073470   
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))
BDBM50073470
PNG
((3R,4R)-1-Ethyl-4-phenyl-piperidine-3-carboxylic a...)
Show SMILES CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17/h7-9,11-12,18-19H,3-6,10,13-16H2,1-2H3/t18-,19-/m0/s1
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n/an/a 573n/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 M5


(Homo sapiens (Human))
BDBM50073470
PNG
((3R,4R)-1-Ethyl-4-phenyl-piperidine-3-carboxylic a...)
Show SMILES CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17/h7-9,11-12,18-19H,3-6,10,13-16H2,1-2H3/t18-,19-/m0/s1
Reactome pathway
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PC sid
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Article
PubMed
n/an/a 222n/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))
BDBM50073470
PNG
((3R,4R)-1-Ethyl-4-phenyl-piperidine-3-carboxylic a...)
Show SMILES CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17/h7-9,11-12,18-19H,3-6,10,13-16H2,1-2H3/t18-,19-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/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))
BDBM50073470
PNG
((3R,4R)-1-Ethyl-4-phenyl-piperidine-3-carboxylic a...)
Show SMILES CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17/h7-9,11-12,18-19H,3-6,10,13-16H2,1-2H3/t18-,19-/m0/s1
Reactome pathway
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PC sid
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Similars

Article
PubMed
n/an/a 220n/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 M2


(Homo sapiens (Human))
BDBM50073470
PNG
((3R,4R)-1-Ethyl-4-phenyl-piperidine-3-carboxylic a...)
Show SMILES CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17/h7-9,11-12,18-19H,3-6,10,13-16H2,1-2H3/t18-,19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 405n/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