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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM43821'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM43821
PNG
(4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
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PC cid
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PCBioAssay
2.11E+4n/an/an/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2319T98
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM43821
PNG
(4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M2 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM43821
PNG
(4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
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UniProtKB/TrEMBL

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PC cid
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PCBioAssay
n/an/an/an/a 2.80E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26T0K17
More data for this
Ligand-Target Pair