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Compile Data Set for Download or QSAR

Found 10932 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor'   
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
cholinergic receptor, muscarinic 4


(RAT)
BDBM48044
PNG
(3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyri...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 1.42E-13n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SN07C4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48043
PNG
(3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
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n/an/an/an/a 0.0000871n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SN07C4
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM50323691
PNG
(3-amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 0.000339n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48044
PNG
(3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyri...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 0.000369n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48043
PNG
(3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48044
PNG
(3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyri...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 0.000403n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2XD103V
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48043
PNG
(3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
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n/an/an/an/a 0.000429n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2XD103V
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM50323693
PNG
(3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h3-8H,9,18H2,1-2H3,(H,19,21)
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n/an/an/an/a 0.000693n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48045
PNG
(3-amino-N-(2-fluorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 0.000873n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48056
PNG
(3-amino-N-(2,3-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C17H15F2N3OS/c1-8-6-9(2)22-17-12(8)14(20)15(24-17)16(23)21-7-10-4-3-5-11(18)13(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
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n/an/an/an/a 0.000973n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48054
PNG
(3-amino-N-(2,5-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-6-11(18)3-4-12(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48055
PNG
(3-amino-N-(3,4-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-3-4-11(18)12(19)6-10/h3-6H,7,20H2,1-2H3,(H,21,23)
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n/an/an/an/a 0.00127n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48046
PNG
(3-amino-N-(2-chlorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 0.00234n/an/an/an/a



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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM50323690
PNG
(3-amino-4,6-dimethyl-N-(4-(trifluoromethyl)benzyl)...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3OS/c1-9-7-10(2)24-17-13(9)14(22)15(26-17)16(25)23-8-11-3-5-12(6-4-11)18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)
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BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48051
PNG
(3-amino-4,6-dimethyl-N-(4-methylbenzyl)thieno[2,3-...)
Show SMILES Cc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3OS/c1-10-4-6-13(7-5-10)9-20-17(22)16-15(19)14-11(2)8-12(3)21-18(14)23-16/h4-8H,9,19H2,1-3H3,(H,20,22)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48049
PNG
(3-amino-4,6-dimethyl-N-(4-pyridylmethyl)thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H16N4OS/c1-9-7-10(2)20-16-12(9)13(17)14(22-16)15(21)19-8-11-3-5-18-6-4-11/h3-7H,8,17H2,1-2H3,(H,19,21)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48053
PNG
(3-amino-4,6-dimethyl-N-[4-(trifluoromethoxy)benzyl...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O2S/c1-9-7-10(2)24-17-13(9)14(22)15(27-17)16(25)23-8-11-3-5-12(6-4-11)26-18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48052
PNG
(3-amino-N-(4-bromobenzyl)-4,6-dimethyl-thieno[2,3-...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C17H16BrN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 0.00516n/an/an/an/a



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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48050
PNG
(3-amino-4,6-dimethyl-N-(3-pyridinylmethyl)-2-thien...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C16H16N4OS/c1-9-6-10(2)20-16-12(9)13(17)14(22-16)15(21)19-8-11-4-3-5-18-7-11/h3-7H,8,17H2,1-2H3,(H,19,21)
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Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48047
PNG
(3-amino-N-(3-chlorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClN3OS/c1-9-6-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-4-3-5-12(18)7-11/h3-7H,8,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 0.00903n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48048
PNG
(3-amino-4,6-dimethyl-N-(3-methylbenzyl)thieno[2,3-...)
Show SMILES Cc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1
Show InChI InChI=1S/C18H19N3OS/c1-10-5-4-6-13(7-10)9-20-17(22)16-15(19)14-11(2)8-12(3)21-18(14)23-16/h4-8H,9,19H2,1-3H3,(H,20,22)
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n/an/an/an/a 0.0102n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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n/an/an/an/a 0.0390n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro negative chronotropic effect of the compound on electrically driven guinea pig atria(mediated by Muscarinic M2 receptor)


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50448377
PNG
(CHEMBL3121473)
Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
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n/an/an/an/a 0.0794n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M2 receptor in albino guinea pig left atrium assessed as stimulation of electrically-induced response


Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50448377
PNG
(CHEMBL3121473)
Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
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n/an/an/an/a 0.166n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor in albino guinea pig ileum assessed as stimulation of electrically-induced response


Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072225
PNG
((1R,5R,6R)-6-[4-(3-Phenyl-prop-2-ynylsulfanyl)-[1,...)
Show SMILES C(Sc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3S2/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Effective concentration required for stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50433574
PNG
(CHEMBL2381694)
Show SMILES FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H12F3NO4/c18-17(19,20)25-12-6-7-14-13(10-12)15(22)16(23)21(14)8-9-24-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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n/an/an/an/a 0.224n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50433574
PNG
(CHEMBL2381694)
Show SMILES FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H12F3NO4/c18-17(19,20)25-12-6-7-14-13(10-12)15(22)16(23)21(14)8-9-24-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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n/an/an/an/a 0.225n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 0.263n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 0.263n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM193789
PNG
(US9670209, Compound 307 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C22H30FN3O/c1-15(13-26-22-8-18(23)5-4-17(22)11-24-26)12-25-19-6-7-20(25)10-21(9-19)27-14-16-2-3-16/h4-5,8,11,15-16,19-21H,2-3,6-7,9-10,12-14H2,1H3/t15-,19-,20+,21+/m1/s1
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n/an/an/an/a 0.320n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416734
PNG
(CHEMBL1223804)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
Show InChI InChI=1S/C23H34N2O2/c1-4-27-20-7-11-23(3,12-8-20)24-13-9-19(10-14-24)25-21-15-17(2)5-6-18(21)16-22(25)26/h5-6,15,19-20H,4,7-14,16H2,1-3H3/t20-,23-
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416732
PNG
(CHEMBL1223754)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O
Show InChI InChI=1S/C23H34FN3O2/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-21-14-16(2)19(24)15-20(21)25-22(27)28/h14-15,17-18H,4-13H2,1-3H3,(H,25,28)/t18-,23-
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM193791
PNG
(US9670209, Compound 309 1-((R)-3-(3-(2-Methoxyethy...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H30FN3O/c1-15(14-25-21-11-18(22)4-3-17(21)12-23-25)13-24-19-5-6-20(24)10-16(9-19)7-8-26-2/h3-4,11-12,15-16,19-20H,5-10,13-14H2,1-2H3/t15-,16-,19+,20-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM193802
PNG
(US9670209, Compound 312 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C22H33N3O/c1-16-4-5-19-13-23-25(22(19)10-16)15-17(2)14-24-20-6-7-21(24)12-18(11-20)8-9-26-3/h4-5,10,13,17-18,20-21H,6-9,11-12,14-15H2,1-3H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072227
PNG
((1R,5R,6R)-6-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]t...)
Show SMILES C(Oc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416733
PNG
(CHEMBL1223803)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
Show InChI InChI=1S/C24H36N2O2/c1-4-15-28-21-7-11-24(3,12-8-21)25-13-9-20(10-14-25)26-22-16-18(2)5-6-19(22)17-23(26)27/h5-6,16,20-21H,4,7-15,17H2,1-3H3/t21-,24-
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 0.512n/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 Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034656
PNG
(CHEMBL3360954)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc3c(n[nH]c3=O)c3ccccc23)c(F)c1
Show InChI InChI=1S/C21H16FN5O/c1-26-10-15(9-23-26)13-6-7-14(18(22)8-13)11-27-12-17-20(24-25-21(17)28)16-4-2-3-5-19(16)27/h2-10,12H,11H2,1H3,(H,25,28)
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n/an/an/an/a 0.600n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50107702
PNG
(1,10-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C26H40N6S4/c1-31-15-11-13-21(19-31)23-25(29-35-27-23)33-17-9-7-5-3-4-6-8-10-18-34-26-24(28-36-30-26)22-14-12-16-32(2)20-22/h13-14H,3-12,15-20H2,1-2H3
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n/an/an/an/a 0.600n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.


J Med Chem 44: 4563-76 (2001)


Article DOI: 10.1021/jm0102405
BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50263892
PNG
(6-Fluoro-1-[1'-(2-methyl-benzyl)-[1,4']bipiperidin...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-4-2-3-5-19(18)17-28-12-8-21(9-13-28)29-14-10-22(11-15-29)30-24-16-20(26)6-7-23(24)27-25(30)31/h2-7,16,21-22H,8-15,17H2,1H3,(H,27,31)
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n/an/an/an/a 0.760n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM193825
PNG
(US9670209, Compound 324 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H35N3O/c1-4-27-10-9-19-12-21-7-8-22(13-19)25(21)15-18(3)16-26-23-11-17(2)5-6-20(23)14-24-26/h5-6,11,14,18-19,21-22H,4,7-10,12-13,15-16H2,1-3H3/t18-,19-,21+,22-/m1/s1
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n/an/an/an/a 0.790n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM193823
PNG
(US9670209, Compound 323 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C22H33N3O/c1-3-26-11-10-18-12-20-8-9-21(13-18)24(20)15-17(2)16-25-22-7-5-4-6-19(22)14-23-25/h4-7,14,17-18,20-21H,3,8-13,15-16H2,1-2H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 0.790n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50263891
PNG
(5-Fluoro-1-[1'-(2-methyl-benzyl)-[1,4']bipiperidin...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-4-2-3-5-19(18)17-28-12-8-21(9-13-28)29-14-10-22(11-15-29)30-24-7-6-20(26)16-23(24)27-25(30)31/h2-7,16,21-22H,8-15,17H2,1H3,(H,27,31)
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n/an/an/an/a 0.850n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50225215
PNG
(N,N,N-triethyl-2-(3-(((6-(2-(1,2,3,4-tetrahydroacr...)
Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(c1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C42H64N6O4/c1-7-47(8-2,9-3)26-28-51-34-30-33(31-35(32-34)52-29-27-48(10-4,11-5)12-6)42(50)43-25-19-13-14-24-40(49)45-46-41-36-20-15-17-22-38(36)44-39-23-18-16-21-37(39)41/h15,17,20,22,30-32H,7-14,16,18-19,21,23-29H2,1-6H3,(H-2,43,44,45,46,49,50)/p+2
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n/an/an/an/a 0.900n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor


J Med Chem 50: 5685-95 (2007)


Article DOI: 10.1021/jm070859s
BindingDB Entry DOI: 10.7270/Q2NS0VRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072214
PNG
((R)-3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiaz...)
Show SMILES C(Oc1nsnc1[C@H]1CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-2-5-13(6-3-1)7-4-10-21-17-16(18-22-19-17)15-12-20-9-8-14(15)11-20/h1-3,5-6,14-15H,8-12H2/t14?,15-/m0/s1
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n/an/an/an/a 0.990n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50062577
PNG
(6-(4-Propylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-a...)
Show SMILES CCCSc1nsnc1OC1CN2CC1CCC2
Show InChI InChI=1S/C12H19N3OS2/c1-2-6-17-12-11(13-18-14-12)16-10-8-15-5-3-4-9(10)7-15/h9-10H,2-8H2,1H3
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n/an/an/an/a 1n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration required for stimulation of phosphoinositol (PI) hydrolysis in the A9 L cell line transfected with the Muscarinic acetylcholi...


J Med Chem 41: 379-92 (1998)


Article DOI: 10.1021/jm970125n
BindingDB Entry DOI: 10.7270/Q2SX6CBC
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50371197
PNG
(CHEMBL555247)
Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C50H81ClN7O5/c1-10-56(11-2,12-3)30-33-61-45-38-47(63-35-32-58(16-7,17-8)18-9)46(62-34-31-57(13-4,14-5)15-6)37-42(45)50(60)52-29-23-19-20-26-48(59)54-55-49-40-24-21-22-25-43(40)53-44-36-39(51)27-28-41(44)49/h27-28,36-38H,10-26,29-35H2,1-9H3,(H-2,52,53,54,55,59,60)/q+1/p+2
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n/an/an/an/a 1n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor


J Med Chem 50: 5685-95 (2007)


Article DOI: 10.1021/jm070859s
BindingDB Entry DOI: 10.7270/Q2NS0VRN
More data for this
Ligand-Target Pair
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