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Compile Data Set for Download or QSAR

Found 90 hits of ec50 data for polymerid = 49000383   
Target
(Institution)
LigandTarget
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)

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

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)

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

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)

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

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)

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 0.000388n/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)

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

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)

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

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)

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

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)

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

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)

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

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)

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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n/an/an/an/a 0.00100n/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)

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

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)

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



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)

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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n/an/an/an/a 0.00242n/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)

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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n/an/an/an/a 0.00242n/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)

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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n/an/an/an/a 0.00282n/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)

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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n/an/an/an/a 0.00506n/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)

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



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)

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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n/an/an/an/a 0.00559n/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)

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)

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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48076
PNG
(3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 95.3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48064
PNG
(3-amino-4-methyl-N-p-anisyl-6-(4-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-7-9-25-10-8-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-3-5-17(29-2)6-4-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
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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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50423968
PNG
(CHEMBL2313377)
Show SMILES Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C13H14ClN3OS/c1-5-8-10(15)11(12(18)17-7-3-4-7)19-13(8)16-6(2)9(5)14/h7H,3-4,15H2,1-2H3,(H,17,18)
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n/an/an/an/a 147n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M4 receptor assessed as acetylcholine response


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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n/an/an/an/a 160n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50423967
PNG
(CHEMBL2057417)
Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)
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n/an/an/an/a 176n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M4 receptor assessed as acetylcholine response


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48077
PNG
(3-amino-N-(2,5-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-8-17(30-11-13-4-6-26-7-5-13)28-22-18(12)19(25)20(31-22)21(29)27-10-14-9-15(23)2-3-16(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 183n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48073
PNG
(3-amino-N-tert-butyl-4-methyl-6-(2-morpholin-4-yle...)
Show SMILES Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12
Show InChI InChI=1S/C19H28N4O3S/c1-12-11-13(26-10-7-23-5-8-25-9-6-23)21-18-14(12)15(20)16(27-18)17(24)22-19(2,3)4/h11H,5-10,20H2,1-4H3,(H,22,24)
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n/an/an/an/a 192n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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 230n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M4 receptor assessed as acetylcholine response


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50323689
PNG
(3-amino-N-(4-fluorobenzyl)-4,6-dimethylthieno[2,3-...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C17H16FN3OS/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 300n/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Allosteric activation of rat recombinant muscarinic M4 receptor expressed in CHO cells assessed as potentiation of 10 uM acetylcholine-induced calciu...


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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 400n/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Allosteric activation of rat recombinant muscarinic M4 receptor expressed in CHO cells assessed as potentiation of 10 uM acetylcholine-induced calciu...


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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n/an/an/an/a 715n/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Allosteric activation of rat recombinant muscarinic M4 receptor expressed in CHO cells assessed as potentiation of 10 uM acetylcholine-induced calciu...


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM48076
PNG
(3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 900n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M4 receptor assessed as acetylcholine response


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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n/an/an/an/a 950n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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 1.30E+3n/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Allosteric activation of rat recombinant muscarinic M4 receptor expressed in CHO cells assessed as potentiation of 15 nM acetylcholine-induced calciu...


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48077
PNG
(3-amino-N-(2,5-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-8-17(30-11-13-4-6-26-7-5-13)28-22-18(12)19(25)20(31-22)21(29)27-10-14-9-15(23)2-3-16(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 1.58E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48076
PNG
(3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 1.61E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48076
PNG
(3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
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n/an/an/an/a 1.67E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48066
PNG
(3-amino-4-methyl-N-p-anisyl-6-(2-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4ccccn4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-5-3-4-10-25-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-6-8-17(29-2)9-7-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
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n/an/an/an/a 1.77E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48064
PNG
(3-amino-4-methyl-N-p-anisyl-6-(4-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-7-9-25-10-8-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-3-5-17(29-2)6-4-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
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n/an/an/an/a 1.97E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48064
PNG
(3-amino-4-methyl-N-p-anisyl-6-(4-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-7-9-25-10-8-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-3-5-17(29-2)6-4-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
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n/an/an/an/a 1.97E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48065
PNG
(3-amino-4-methyl-N-p-anisyl-6-(3-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4cccnc4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-10-18(30-13-16-4-3-9-25-11-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-5-7-17(29-2)8-6-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
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n/an/an/an/a 2.21E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48068
PNG
(3-amino-6-[3-(dimethylamino)propoxy]-4-methyl-N-(3...)
Show SMILES CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NC1COC1
Show InChI InChI=1S/C17H24N4O3S/c1-10-7-12(24-6-4-5-21(2)3)20-17-13(10)14(18)15(25-17)16(22)19-11-8-23-9-11/h7,11H,4-6,8-9,18H2,1-3H3,(H,19,22)
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n/an/an/an/a 2.58E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48069
PNG
(3-amino-N-(2,5-difluorobenzyl)-6-[3-(dimethylamino...)
Show SMILES CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C21H24F2N4O2S/c1-12-9-16(29-8-4-7-27(2)3)26-21-17(12)18(24)19(30-21)20(28)25-11-13-10-14(22)5-6-15(13)23/h5-6,9-10H,4,7-8,11,24H2,1-3H3,(H,25,28)
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n/an/an/an/a 2.75E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48074
PNG
(3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(2-pyrid...)
Show SMILES Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-14-6-2-3-8-26-14)28-22-17(12)19(25)20(31-22)21(29)27-10-13-5-4-7-15(23)18(13)24/h2-9H,10-11,25H2,1H3,(H,27,29)
KEGG

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n/an/an/an/a 5.40E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48078
PNG
(3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phen...)
Show SMILES Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12
Show InChI InChI=1S/C21H24N4O3S/c1-14-13-16(28-12-9-25-7-10-27-11-8-25)24-21-17(14)18(22)19(29-21)20(26)23-15-5-3-2-4-6-15/h2-6,13H,7-12,22H2,1H3,(H,23,26)
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n/an/an/an/a 5.81E+3n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50323692
PNG
(3-amino-N-isopropyl-4,6-dimethylthieno[2,3-b]pyrid...)
Show SMILES CC(C)NC(=O)c1sc2nc(C)cc(C)c2c1N
Show InChI InChI=1S/C13H17N3OS/c1-6(2)15-12(17)11-10(14)9-7(3)5-8(4)16-13(9)18-11/h5-6H,14H2,1-4H3,(H,15,17)
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Article
PubMed
n/an/an/an/a 6.00E+3n/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Allosteric activation of rat recombinant muscarinic M4 receptor expressed in CHO cells assessed as potentiation of 15 nM acetylcholine-induced calciu...


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48071
PNG
(3-amino-N-(3-methoxypropyl)-4-methyl-6-(2-morpholi...)
Show SMILES COCCCNC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
Show InChI InChI=1S/C19H28N4O4S/c1-13-12-14(27-11-7-23-5-9-26-10-6-23)22-19-15(13)16(20)17(28-19)18(24)21-4-3-8-25-2/h12H,3-11,20H2,1-2H3,(H,21,24)
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n/an/an/an/a 6.25E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48059
PNG
(3-amino-4-methyl-6-(2-morpholinoethoxy)-N-p-anisyl...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCCN4CCOCC4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H28N4O4S/c1-15-13-18(31-12-9-27-7-10-30-11-8-27)26-23-19(15)20(24)21(32-23)22(28)25-14-16-3-5-17(29-2)6-4-16/h3-6,13H,7-12,14,24H2,1-2H3,(H,25,28)
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n/an/an/an/a 6.47E+3n/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)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48072
PNG
(3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-prop...)
Show SMILES CC(C)NC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
Show InChI InChI=1S/C18H26N4O3S/c1-11(2)20-17(23)16-15(19)14-12(3)10-13(21-18(14)26-16)25-9-6-22-4-7-24-8-5-22/h10-11H,4-9,19H2,1-3H3,(H,20,23)
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n/an/an/an/a 7.15E+3n/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)

More data for this
Ligand-Target Pair
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