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10 similar compounds to monomer 48044

Wt: 341.4
BDBM48043
Purchase
Wt: 325.4
BDBM48048
Wt: 312.3
BDBM48049
Wt: 325.4
BDBM48051
Wt: 395.3
BDBM48053
Wt: 263.3
BDBM50323692
Purchase
Wt: 345.8
BDBM50323691
Purchase
Wt: 311.4
BDBM50323693
Purchase
Wt: 389.8
BDBM50423953
Wt: 375.8
BDBM50423970

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 48043,48048,48049,48051,48053,50323692,50323691,50323693,50423953,50423970   
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
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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0.0000288n/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: 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/Q2NV9GNV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
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 520n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor


Bioorg Med Chem Lett 27: 171-175 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.086
BindingDB Entry DOI: 10.7270/Q2WM1GC0
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)


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
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)


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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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)


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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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)


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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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)


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 0.0000871n/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)


BindingDB Entry DOI: 10.7270/Q2SN07C4
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)


Article DOI: 10.1038/nchembio.2007.55
BindingDB Entry DOI: 10.7270/Q2D50N55
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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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)


Article DOI: 10.1038/nchembio.2007.55
BindingDB Entry DOI: 10.7270/Q2D50N55
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)


Article DOI: 10.1038/nchembio.2007.55
BindingDB Entry DOI: 10.7270/Q2D50N55
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
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 620n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


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


Article DOI: 10.1016/j.bmcl.2012.10.073
BindingDB Entry DOI: 10.7270/Q2N29Z8S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50423953
PNG
(CHEMBL2313391)
Show SMILES Cc1nc2sc(C(=O)NCc3ccc4OCOc4c3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C18H16ClN3O3S/c1-8-13-15(20)16(26-18(13)22-9(2)14(8)19)17(23)21-6-10-3-4-11-12(5-10)25-7-24-11/h3-5H,6-7,20H2,1-2H3,(H,21,23)
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n/an/an/an/a 80n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


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


Article DOI: 10.1016/j.bmcl.2012.10.073
BindingDB Entry DOI: 10.7270/Q2N29Z8S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50423970
PNG
(CHEMBL2313375)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
Show InChI InChI=1S/C18H18ClN3O2S/c1-9-13-15(20)16(25-18(13)22-10(2)14(9)19)17(23)21-8-11-4-6-12(24-3)7-5-11/h4-7H,8,20H2,1-3H3,(H,21,23)
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n/an/an/an/a 107n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


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


Article DOI: 10.1016/j.bmcl.2012.10.073
BindingDB Entry DOI: 10.7270/Q2N29Z8S
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)


Article DOI: 10.1016/j.bmcl.2012.10.073
BindingDB Entry DOI: 10.7270/Q2N29Z8S
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)


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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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)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair