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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50008740   
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 M4


(Homo sapiens (Human))		BDBM50521755
PNG
(CHEMBL4575270)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Show InChI InChI=1S/C19H17N5OS/c1-10-6-14-23-21-9-24(14)19-15(10)16(20)17(26-19)18(25)22-13-7-11-4-2-3-5-12(11)8-13/h2-6,9,13H,7-8,20H2,1H3,(H,22,25)
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n/an/an/an/a 17n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521795
PNG
(CHEMBL4570659)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
Show InChI InChI=1S/C18H16N6OS/c1-9-5-13-23-21-8-24(13)18-14(9)15(19)16(26-18)17(25)22-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,22,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521757
PNG
(CHEMBL4587040)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)N[C@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C20H19N5OS/c1-10-9-15-22-11(2)24-25(15)20-16(10)17(21)18(27-20)19(26)23-14-8-7-12-5-3-4-6-13(12)14/h3-6,9,14H,7-8,21H2,1-2H3,(H,23,26)/t14-/m0/s1
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521758
PNG
(CHEMBL4549515)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H18F2N6OS/c1-9-5-15-24-10(2)26-28(15)20-16(9)17(23)18(30-20)19(29)25-11-7-27(8-11)12-3-4-13(21)14(22)6-12/h3-6,11H,7-8,23H2,1-2H3,(H,25,29)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50521759
PNG
(CHEMBL4534301)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Show InChI InChI=1S/C19H17Cl2N7OS/c1-8-3-14-24-9(2)26-28(14)19-15(8)16(22)17(30-19)18(29)25-10-6-27(7-10)12-4-13(21)23-5-11(12)20/h3-5,10H,6-7,22H2,1-2H3,(H,25,29)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M2 AchR

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521760
PNG
(CHEMBL4447294)
Show SMILES Cc1c[nH]c(=O)c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
Show InChI InChI=1S/C17H14F3N3O4S2/c1-8-6-22-15(24)13-11(8)12(21)14(28-13)16(25)23-7-9-2-4-10(5-3-9)29(26,27)17(18,19)20/h2-6H,7,21H2,1H3,(H,22,24)(H,23,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521761
PNG
(CHEMBL4446894)
Show SMILES Cc1c(Cl)c2nncn2c2sc(C(=O)NC3CC3)c(N)c12
Show InChI InChI=1S/C13H12ClN5OS/c1-5-7-9(15)10(12(20)17-6-2-3-6)21-13(7)19-4-16-18-11(19)8(5)14/h4,6H,2-3,15H2,1H3,(H,17,20)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521762
PNG
(CHEMBL4568327)
Show SMILES Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1CC1
Show InChI InChI=1S/C14H14ClN5OS/c1-5-8-10(16)11(13(21)17-7-3-4-7)22-14(8)20-6(2)18-19-12(20)9(5)15/h7H,3-4,16H2,1-2H3,(H,17,21)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521763
PNG
(CHEMBL4579086)
Show SMILES Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C20H18ClN5OS/c1-9-14-16(22)17(28-20(14)26-10(2)24-25-18(26)15(9)21)19(27)23-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-8,22H2,1-2H3,(H,23,27)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521764
PNG
(CHEMBL4460701)
Show SMILES Cc1cc2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
Show InChI InChI=1S/C19H17N5OS/c1-10-8-14-23-21-9-24(14)19-15(10)16(20)17(26-19)18(25)22-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7,20H2,1H3,(H,22,25)/t13-/m0/s1
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521765
PNG
(CHEMBL4466365)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
Show InChI InChI=1S/C18H14F3N5O3S2/c1-9-6-12-25-24-8-26(12)17-13(9)14(22)15(30-17)16(27)23-7-10-2-4-11(5-3-10)31(28,29)18(19,20)21/h2-6,8H,7,22H2,1H3,(H,23,27)
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n/an/an/an/a 990n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521766
PNG
(CHEMBL4459622)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
Show InChI InChI=1S/C19H16F2N6OS/c1-9-4-14-25-23-8-27(14)19-15(9)16(22)17(29-19)18(28)24-10-6-26(7-10)11-2-3-12(20)13(21)5-11/h2-5,8,10H,6-7,22H2,1H3,(H,24,28)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521767
PNG
(CHEMBL4574990)
Show SMILES Cc1cc2nccn2c2sc(C(=O)NC3CC3)c(N)c12
Show InChI InChI=1S/C14H14N4OS/c1-7-6-9-16-4-5-18(9)14-10(7)11(15)12(20-14)13(19)17-8-2-3-8/h4-6,8H,2-3,15H2,1H3,(H,17,19)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521768
PNG
(CHEMBL4571349)
Show SMILES Cc1cc2nccn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Show InChI InChI=1S/C20H18N4OS/c1-11-8-15-22-6-7-24(15)20-16(11)17(21)18(26-20)19(25)23-14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10,21H2,1H3,(H,23,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521769
PNG
(CHEMBL4519541)
Show SMILES Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C21H20N4OS/c1-11-7-16-23-12(2)10-25(16)21-17(11)18(22)19(27-21)20(26)24-15-8-13-5-3-4-6-14(13)9-15/h3-7,10,15H,8-9,22H2,1-2H3,(H,24,26)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521770
PNG
(CHEMBL4556741)
Show SMILES Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)NC2Cc3cccnc3C2)n1
Show InChI InChI=1S/C20H19N5OS/c1-10-6-15-23-11(2)9-25(15)20-16(10)17(21)18(27-20)19(26)24-13-7-12-4-3-5-22-14(12)8-13/h3-6,9,13H,7-8,21H2,1-2H3,(H,24,26)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521771
PNG
(CHEMBL4443127)
Show SMILES Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)N[C@H]2CCc3ccccc23)n1 |r|
Show InChI InChI=1S/C21H20N4OS/c1-11-9-16-23-12(2)10-25(16)21-17(11)18(22)19(27-21)20(26)24-15-8-7-13-5-3-4-6-14(13)15/h3-6,9-10,15H,7-8,22H2,1-2H3,(H,24,26)/t15-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521772
PNG
(CHEMBL4533756)
Show SMILES COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2ncnn32)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-10-7-13-21-9-22-23(13)18-14(10)15(19)16(26-18)17(24)20-8-11-3-5-12(25-2)6-4-11/h3-7,9H,8,19H2,1-2H3,(H,20,24)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521773
PNG
(CHEMBL4532897)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1Cc2cccnc2C1
Show InChI InChI=1S/C19H18N6OS/c1-9-6-14-22-10(2)24-25(14)19-15(9)16(20)17(27-19)18(26)23-12-7-11-4-3-5-21-13(11)8-12/h3-6,12H,7-8,20H2,1-2H3,(H,23,26)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521774
PNG
(CHEMBL4446559)
Show SMILES COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1F
Show InChI InChI=1S/C19H18FN5O2S/c1-9-6-14-23-10(2)24-25(14)19-15(9)16(21)17(28-19)18(26)22-8-11-4-5-13(27-3)12(20)7-11/h4-7H,8,21H2,1-3H3,(H,22,26)
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n/an/an/an/a 160n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521775
PNG
(CHEMBL4581412)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C19H16F3N5O3S2/c1-9-7-13-25-10(2)26-27(13)18-14(9)15(23)16(31-18)17(28)24-8-11-3-5-12(6-4-11)32(29,30)19(20,21)22/h3-7H,8,23H2,1-2H3,(H,24,28)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521759
PNG
(CHEMBL4534301)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
Show InChI InChI=1S/C19H17Cl2N7OS/c1-8-3-14-24-9(2)26-28(14)19-15(8)16(22)17(30-19)18(29)25-10-6-27(7-10)12-4-13(21)23-5-11(12)20/h3-5,10H,6-7,22H2,1-2H3,(H,25,29)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521776
PNG
(CHEMBL4475984)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(Cl)nc(C)n1
Show InChI InChI=1S/C19H19ClN8OS/c1-8-4-14-24-10(3)26-28(14)19-15(8)16(21)17(30-19)18(29)25-11-6-27(7-11)13-5-12(20)22-9(2)23-13/h4-5,11H,6-7,21H2,1-3H3,(H,25,29)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521777
PNG
(CHEMBL4558206)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(nc1)C1CC1
Show InChI InChI=1S/C21H22N8OS/c1-10-5-15-25-11(2)27-29(15)21-16(10)17(22)18(31-21)20(30)26-13-8-28(9-13)14-6-23-19(24-7-14)12-3-4-12/h5-7,12-13H,3-4,8-9,22H2,1-2H3,(H,26,30)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521778
PNG
(CHEMBL4547561)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1nnc(o1)C1CC1
Show InChI InChI=1S/C19H20N8O2S/c1-8-5-12-21-9(2)25-27(12)18-13(8)14(20)15(30-18)16(28)22-11-6-26(7-11)19-24-23-17(29-19)10-3-4-10/h5,10-11H,3-4,6-7,20H2,1-2H3,(H,22,28)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM50521779
PNG
(CHEMBL4469998)
Show SMILES Cc1cncc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
Show InChI InChI=1S/C17H14F3N3O3S2/c1-9-6-22-8-12-13(9)14(21)15(27-12)16(24)23-7-10-2-4-11(5-3-10)28(25,26)17(18,19)20/h2-6,8H,7,21H2,1H3,(H,23,24)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat M4 AchR

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50521777
PNG
(CHEMBL4558206)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(nc1)C1CC1
Show InChI InChI=1S/C21H22N8OS/c1-10-5-15-25-11(2)27-29(15)21-16(10)17(22)18(31-21)20(30)26-13-8-28(9-13)14-6-23-19(24-7-14)12-3-4-12/h5-7,12-13H,3-4,8-9,22H2,1-2H3,(H,26,30)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M2 AchR

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50521758
PNG
(CHEMBL4549515)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H18F2N6OS/c1-9-5-15-24-10(2)26-28(15)20-16(9)17(23)18(30-20)19(29)25-11-7-27(8-11)12-3-4-13(21)14(22)6-12/h3-6,11H,7-8,23H2,1-2H3,(H,25,29)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M2 AchR

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521780
PNG
(CHEMBL4439440)
Show SMILES Cc1c(Cl)c2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
Show InChI InChI=1S/C19H16ClN5OS/c1-9-13-15(21)16(27-19(13)25-8-22-24-17(25)14(9)20)18(26)23-12-7-6-10-4-2-3-5-11(10)12/h2-5,8,12H,6-7,21H2,1H3,(H,23,26)/t12-/m0/s1
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521781
PNG
(CHEMBL4528914)
Show SMILES COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nncn32)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-10-7-13-22-21-9-23(13)18-14(10)15(19)16(26-18)17(24)20-8-11-3-5-12(25-2)6-4-11/h3-7,9H,8,19H2,1-2H3,(H,20,24)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521782
PNG
(CHEMBL4467568)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(ncc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N7OS/c1-8-3-14-27-9(2)29-31(14)19-15(8)16(25)17(33-19)18(32)28-10-6-30(7-10)12-4-13(20(22,23)24)26-5-11(12)21/h3-5,10H,6-7,25H2,1-2H3,(H,28,32)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50521783
PNG
(CHEMBL4559283)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(Cl)cn1
Show InChI InChI=1S/C18H17ClN8OS/c1-8-3-12-23-9(2)25-27(12)18-14(8)15(20)16(29-18)17(28)24-10-6-26(7-10)13-5-21-11(19)4-22-13/h3-5,10H,6-7,20H2,1-2H3,(H,24,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M2 AchR

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521784
PNG
(CHEMBL4475459)
Show SMILES Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Show InChI InChI=1S/C19H16ClN5OS/c1-9-13-15(21)16(27-19(13)25-8-22-24-17(25)14(9)20)18(26)23-12-6-10-4-2-3-5-11(10)7-12/h2-5,8,12H,6-7,21H2,1H3,(H,23,26)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521785
PNG
(CHEMBL4558111)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3CC3)c(N)c12
Show InChI InChI=1S/C13H13N5OS/c1-6-4-8-17-15-5-18(8)13-9(6)10(14)11(20-13)12(19)16-7-2-3-7/h4-5,7H,2-3,14H2,1H3,(H,16,19)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521786
PNG
(CHEMBL4458791)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C19H16F2N6OS/c1-9-5-13-25-23-8-27(13)19-14(9)16(22)17(29-19)18(28)24-10-6-26(7-10)12-4-2-3-11(20)15(12)21/h2-5,8,10H,6-7,22H2,1H3,(H,24,28)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521787
PNG
(CHEMBL4462813)
Show SMILES Cc1cc2nccn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
Show InChI InChI=1S/C19H17N5OS/c1-10-7-14-22-5-6-24(14)19-15(10)16(20)17(26-19)18(25)23-12-8-11-3-2-4-21-13(11)9-12/h2-7,12H,8-9,20H2,1H3,(H,23,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521788
PNG
(CHEMBL4449879)
Show SMILES Cc1cc2ncnn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
Show InChI InChI=1S/C18H16N6OS/c1-9-5-13-21-8-22-24(13)18-14(9)15(19)16(26-18)17(25)23-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,23,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521789
PNG
(CHEMBL4468120)
Show SMILES COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1
Show InChI InChI=1S/C19H19N5O2S/c1-10-8-14-22-11(2)23-24(14)19-15(10)16(20)17(27-19)18(25)21-9-12-4-6-13(26-3)7-5-12/h4-8H,9,20H2,1-3H3,(H,21,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521783
PNG
(CHEMBL4559283)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(Cl)cn1
Show InChI InChI=1S/C18H17ClN8OS/c1-8-3-12-23-9(2)25-27(12)18-14(8)15(20)16(29-18)17(28)24-10-6-26(7-10)13-5-21-11(19)4-22-13/h3-5,10H,6-7,20H2,1-2H3,(H,24,28)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521790
PNG
(CHEMBL4592120)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C20H24N8O2S/c1-9-6-12-22-10(2)26-28(12)17-13(9)14(21)15(31-17)16(29)23-11-7-27(8-11)19-25-24-18(30-19)20(3,4)5/h6,11H,7-8,21H2,1-5H3,(H,23,29)
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n/an/an/an/a 620n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521791
PNG
(CHEMBL4452874)
Show SMILES Cc1cc2ncnn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Show InChI InChI=1S/C19H17N5OS/c1-10-6-14-21-9-22-24(14)19-15(10)16(20)17(26-19)18(25)23-13-7-11-4-2-3-5-12(11)8-13/h2-6,9,13H,7-8,20H2,1H3,(H,23,25)
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n/an/an/an/a 37n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521792
PNG
(CHEMBL4533701)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N8OS/c1-8-3-12-26-9(2)28-30(12)17-13(8)14(23)15(32-17)16(31)27-11-6-29(7-11)18-24-4-10(5-25-18)19(20,21)22/h3-5,11H,6-7,23H2,1-2H3,(H,27,31)
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n/an/an/an/a 270n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521793
PNG
(CHEMBL4553231)
Show SMILES Cc1cc2nccn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
Show InChI InChI=1S/C20H18N4OS/c1-11-10-15-22-8-9-24(15)20-16(11)17(21)18(26-20)19(25)23-14-7-6-12-4-2-3-5-13(12)14/h2-5,8-10,14H,6-7,21H2,1H3,(H,23,25)/t14-/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521794
PNG
(CHEMBL4586356)
Show SMILES Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C20H19N5OS/c1-10-7-15-22-11(2)24-25(15)20-16(10)17(21)18(27-20)19(26)23-14-8-12-5-3-4-6-13(12)9-14/h3-7,14H,8-9,21H2,1-2H3,(H,23,26)
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n/an/an/an/a 46n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50521756
PNG
(CHEMBL4566449)
Show SMILES COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nccn32)cc1
Show InChI InChI=1S/C19H18N4O2S/c1-11-9-14-21-7-8-23(14)19-15(11)16(20)17(26-19)18(24)22-10-12-3-5-13(25-2)6-4-12/h3-9H,10,20H2,1-2H3,(H,22,24)
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n/an/an/an/a 310n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...

Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
BindingDB Entry DOI: 10.7270/Q2X351VJ
More data for this
Ligand-Target Pair