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PubMed code 26631313

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135192
PNG
(CHEMBL3747037)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cc(cn2)-c2ccncc2)c2cccnc12 |r|
Show InChI InChI=1S/C29H28N6O2/c36-27-6-2-1-4-25(27)33-29(37)24-19-34(26-5-3-13-31-28(24)26)17-20-7-9-23(10-8-20)35-18-22(16-32-35)21-11-14-30-15-12-21/h3,5,7-16,18-19,25,27,36H,1-2,4,6,17H2,(H,33,37)/t25-,27-/m0/s1
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n/an/an/an/a 273n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135191
PNG
(CHEMBL3746904)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12 |r|
Show InChI InChI=1S/C24H24N4O2/c29-22-8-2-1-6-20(22)27-24(30)18-15-28(21-7-4-12-26-23(18)21)14-16-9-10-19-17(13-16)5-3-11-25-19/h3-5,7,9-13,15,20,22,29H,1-2,6,8,14H2,(H,27,30)/t20-,22-/m0/s1
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n/an/an/an/a 185n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135210
PNG
(CHEMBL3746104)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1nn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|
Show InChI InChI=1S/C23H24N6O2/c30-20-7-2-1-5-18(20)26-23(31)22-21-19(6-3-12-24-21)29(27-22)15-16-8-10-17(11-9-16)28-14-4-13-25-28/h3-4,6,8-14,18,20,30H,1-2,5,7,15H2,(H,26,31)/t18-,20-/m0/s1
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n/an/an/an/a 215n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135217
PNG
(CHEMBL3746869)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(cc3)-c3ccn(C)n3)c12)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C25H27N5O3/c1-16-7-10-26-23-19(25(32)27-21-9-12-33-15-22(21)31)14-30(24(16)23)13-17-3-5-18(6-4-17)20-8-11-29(2)28-20/h3-8,10-11,14,21-22,31H,9,12-13,15H2,1-2H3,(H,27,32)/t21-,22-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135199
PNG
(CHEMBL3747166)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|
Show InChI InChI=1S/C23H23N5O3/c29-21-15-31-12-8-19(21)26-23(30)18-14-27(20-3-1-9-24-22(18)20)13-16-4-6-17(7-5-16)28-11-2-10-25-28/h1-7,9-11,14,19,21,29H,8,12-13,15H2,(H,26,30)/t19-,21-/m0/s1
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n/an/an/an/a 63n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135196
PNG
(CHEMBL3745995)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)C#N)c2cccnc12 |r|
Show InChI InChI=1S/C22H22N4O2/c23-12-15-7-9-16(10-8-15)13-26-14-17(21-19(26)5-3-11-24-21)22(28)25-18-4-1-2-6-20(18)27/h3,5,7-11,14,18,20,27H,1-2,4,6,13H2,(H,25,28)/t18-,20-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135206
PNG
(CHEMBL3747724)
Show SMILES Cn1ccc(NC(=O)c2cn(Cc3ccc(cc3)-n3cccn3)c3cccnc23)n1
Show InChI InChI=1S/C22H19N7O/c1-27-13-9-20(26-27)25-22(30)18-15-28(19-4-2-10-23-21(18)19)14-16-5-7-17(8-6-16)29-12-3-11-24-29/h2-13,15H,14H2,1H3,(H,25,26,30)
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n/an/an/an/a 258n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135208
PNG
(CHEMBL3746599)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2ccccc12 |r|
Show InChI InChI=1S/C25H26N4O2/c30-24-9-4-2-7-22(24)27-25(31)21-17-28(23-8-3-1-6-20(21)23)16-18-10-12-19(13-11-18)29-15-5-14-26-29/h1,3,5-6,8,10-15,17,22,24,30H,2,4,7,9,16H2,(H,27,31)/t22-,24-/m0/s1
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n/an/an/an/a 163n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135188
PNG
(CHEMBL3746377)
Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-29-14-12-20(28-29)18-10-8-17(9-11-18)15-30-16-19(24-22(30)6-4-13-26-24)25(32)27-21-5-2-3-7-23(21)31/h4,6,8-14,16,21,23,31H,2-3,5,7,15H2,1H3,(H,27,32)/t21-,23-/m0/s1
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n/an/an/an/a 89n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135200
PNG
(CHEMBL3746514)
Show SMILES CN(C)C(=O)CNC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C22H22N6O2/c1-26(2)20(29)13-24-22(30)18-15-27(19-5-3-10-23-21(18)19)14-16-6-8-17(9-7-16)28-12-4-11-25-28/h3-12,15H,13-14H2,1-2H3,(H,24,30)
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n/an/an/an/a 112n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135204
PNG
(CHEMBL3747254)
Show SMILES O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|
Show InChI InChI=1S/C23H23N5O2/c29-23(25-14-19-4-2-13-30-19)20-16-27(21-5-1-10-24-22(20)21)15-17-6-8-18(9-7-17)28-12-3-11-26-28/h1,3,5-12,16,19H,2,4,13-15H2,(H,25,29)/t19-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135218
PNG
(CHEMBL3747781)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-c2cc[nH]n2)c2cccnc12 |r|
Show InChI InChI=1S/C23H23N5O3/c29-21-14-31-11-8-19(21)26-23(30)17-13-28(20-2-1-9-24-22(17)20)12-15-3-5-16(6-4-15)18-7-10-25-27-18/h1-7,9-10,13,19,21,29H,8,11-12,14H2,(H,25,27)(H,26,30)/t19-,21-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135190
PNG
(CHEMBL3745973)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|
Show InChI InChI=1S/C24H25N5O2/c30-22-7-2-1-5-20(22)27-24(31)19-16-28(21-6-3-12-25-23(19)21)15-17-8-10-18(11-9-17)29-14-4-13-26-29/h3-4,6,8-14,16,20,22,30H,1-2,5,7,15H2,(H,27,31)/t20-,22-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135207
PNG
(CHEMBL3747287)
Show SMILES OC1(CNC(=O)c2cn(Cc3ccc(cc3)-n3cccn3)c3cccnc23)CCC1
Show InChI InChI=1S/C23H23N5O2/c29-22(25-16-23(30)9-2-10-23)19-15-27(20-4-1-11-24-21(19)20)14-17-5-7-18(8-6-17)28-13-3-12-26-28/h1,3-8,11-13,15,30H,2,9-10,14,16H2,(H,25,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135215
PNG
(CHEMBL3745724)
Show SMILES Cc1ccc2n(Cc3ccc(cc3)-c3ccn(C)n3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C25H27N5O3/c1-16-3-8-22-24(26-16)19(25(32)27-21-10-12-33-15-23(21)31)14-30(22)13-17-4-6-18(7-5-17)20-9-11-29(2)28-20/h3-9,11,14,21,23,31H,10,12-13,15H2,1-2H3,(H,27,32)/t21-,23-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135194
PNG
(CHEMBL3745962)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-c2cncnc2)c2cccnc12 |r|
Show InChI InChI=1S/C25H25N5O2/c31-23-6-2-1-4-21(23)29-25(32)20-15-30(22-5-3-11-28-24(20)22)14-17-7-9-18(10-8-17)19-12-26-16-27-13-19/h3,5,7-13,15-16,21,23,31H,1-2,4,6,14H2,(H,29,32)/t21-,23-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135205
PNG
(CHEMBL3745855)
Show SMILES OC[C@H]1CC[C@@H](CC1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r,wU:5.8,wD:2.1,(6.87,9.12,;5.66,8.87,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;5.73,4.8,;6.21,6.26,;3.75,3.01,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.77,-3.63,;6.28,-2.16,;4.77,-1.86,;8.28,-3.93,;8.9,-5.33,;10.43,-5.16,;10.73,-3.65,;9.39,-2.89,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
Show InChI InChI=1S/C25H27N5O2/c31-17-19-4-8-20(9-5-19)28-25(32)22-16-29(23-3-1-12-26-24(22)23)15-18-6-10-21(11-7-18)30-14-2-13-27-30/h1-3,6-7,10-14,16,19-20,31H,4-5,8-9,15,17H2,(H,28,32)/t19-,20-
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135213
PNG
(CHEMBL3747016)
Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135216
PNG
(CHEMBL3747004)
Show SMILES Cc1cnc2c(cn(Cc3ccc(cc3)-c3ccn(C)n3)c2c1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C25H27N5O3/c1-16-11-22-24(26-12-16)19(25(32)27-21-8-10-33-15-23(21)31)14-30(22)13-17-3-5-18(6-4-17)20-7-9-29(2)28-20/h3-7,9,11-12,14,21,23,31H,8,10,13,15H2,1-2H3,(H,27,32)/t21-,23-/m0/s1
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n/an/an/an/a 211n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135209
PNG
(CHEMBL3746322)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1nn(Cc2ccc(cc2)-n2cccn2)c2ccccc12 |r|
Show InChI InChI=1S/C24H25N5O2/c30-22-9-4-2-7-20(22)26-24(31)23-19-6-1-3-8-21(19)29(27-23)16-17-10-12-18(13-11-17)28-15-5-14-25-28/h1,3,5-6,8,10-15,20,22,30H,2,4,7,9,16H2,(H,26,31)/t20-,22-/m0/s1
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n/an/an/an/a 4.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%