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BDBM43820 4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidine-1-carboxylic acid ethyl ester::4-[2-[(2-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylic acid ethyl ester::4-[2-[[(2-chlorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester::VU0207811::cid_644390::ethyl 4-[2-[(2-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate::ethyl 4-[2-[(2-chlorophenyl)carbonylamino]ethylamino]piperidine-1-carboxylate

SMILES: CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl

InChI Key: InChIKey=CKDRIMCQYYURDN-UHFFFAOYSA-N

Data: 3 KI  4 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 7 hits for monomerid = 43820   
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)
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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PCBioAssay
n/an/an/an/a 804n/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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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n/an/an/an/a 2.91E+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 M3


(Homo sapiens (Human))
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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n/an/an/an/a 5.93E+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/Q2BK19RJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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n/an/an/an/a 9.24E+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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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3.13E+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/Q2K072PB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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Article
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6.94E+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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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17.0n/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