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BDBM43822 4-[2-(o-toluoylamino)ethylamino]piperidine-1-carboxylic acid ethyl ester;hydrochloride::4-[2-[[(2-methylphenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester;hydrochloride::CHEMBL1624037::VU0357017::cid_25010775::ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride::ethyl 4-[2-[(2-methylphenyl)carbonylamino]ethylamino]piperidine-1-carboxylate;hydrochloride

SMILES: CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C

InChI Key: InChIKey=ZBSSIYGXZQZYDM-UHFFFAOYSA-N

Data: 4 KI  1 IC50  22 EC50

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 27 hits for monomerid = 43822   
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


(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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14.6n/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/Q2FJ2F7F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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7.19E+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)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2319T98
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(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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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 M3


(Homo sapiens (Human))
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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1.90E+5n/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/Q2K072PB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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n/an/an/an/a 9.57E+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
D(2) dopamine receptor


(Homo sapiens (Human))
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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n/an/a 4.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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n/an/an/an/a 200n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
CHRM5


(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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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n/an/an/an/a 2.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant muscarinic M1 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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n/an/an/an/a 2.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant muscarinic M1 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant muscarinic M2 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant muscarinic M3 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant muscarinic M4 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
CHRM5


(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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant muscarinic M5 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant muscarinic M2 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant muscarinic M3 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
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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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant muscarinic M4 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
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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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant muscarinic M5 receptor by HTS cell based assay


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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n/an/an/an/a 2.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
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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n/an/an/an/a 3.60E+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/Q2BK19RJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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n/an/an/an/a 2.51E+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/Q2VX0DXR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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n/an/an/an/a 1.60E+6n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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n/an/an/an/a 198n/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/Q2KD1W96
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(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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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