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PubChem AID 1744

Compile data set for download or QSAR
Found 8 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 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 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)
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM44253
PNG
(4-[2-(m-anisoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C18H27N3O4/c1-3-25-18(23)21-11-7-15(8-12-21)19-9-10-20-17(22)14-5-4-6-16(13-14)24-2/h4-6,13,15,19H,3,7-12H2,1-2H3,(H,20,22)
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n/an/an/an/a 438n/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)
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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n/an/an/an/a 152n/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)
BDBM44250
PNG
(4-[2-[(4-fluorobenzoyl)amino]ethylamino]piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H24FN3O3/c1-2-24-17(23)21-11-7-15(8-12-21)19-9-10-20-16(22)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3,(H,20,22)
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n/an/an/an/a 154n/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)
BDBM43819
PNG
(4-[2-(2-thenoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccs1
Show InChI InChI=1S/C15H23N3O3S/c1-2-21-15(20)18-9-5-12(6-10-18)16-7-8-17-14(19)13-4-3-11-22-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,17,19)
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n/an/an/an/a 1.74E+3n/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)
BDBM44251
PNG
(4-[2-[(3-fluorobenzoyl)amino]ethylamino]piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H24FN3O3/c1-2-24-17(23)21-10-6-15(7-11-21)19-8-9-20-16(22)13-4-3-5-14(18)12-13/h3-5,12,15,19H,2,6-11H2,1H3,(H,20,22)
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n/an/an/an/a 154n/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)
BDBM44252
PNG
(4-[2-[(3,4-difluorobenzoyl)amino]ethylamino]piperi...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H23F2N3O3/c1-2-25-17(24)22-9-5-13(6-10-22)20-7-8-21-16(23)12-3-4-14(18)15(19)11-12/h3-4,11,13,20H,2,5-10H2,1H3,(H,21,23)
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n/an/an/an/a 211n/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
* indicates data uncertainty>20%