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PubChem AID 1757

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M4


(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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UniChem

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PCBioAssay
 6.85E+3n/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/Q2GB22G8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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MCE
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PCBioAssay
 7.67E+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/Q2GB22G8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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MCE
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n/an/an/an/a 2.40E+5n/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/Q2XP73B8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.14E+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/Q2XP73B8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%