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Compile Data Set for Download or QSAR

Found 2411 hits Enz. Inhib. hit(s) with Target = 'Muscarinic receptor M1 and M2'   
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 receptor M1 and M2


(RAT)
BDBM261732
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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n/an/an/an/a 2.40n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion(mediated by Muscarinic M1 receptor)


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261732
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


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



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion(mediated by Muscarinic M1 receptor)


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261728
PNG
(1-fluoro-4-(2-fluoro- 4-(1-methyl-1H- pyrazol-4- y...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)c(F)c1
Show InChI InChI=1S/C27H25F2N3O3/c1-32-14-19(13-30-32)16-6-7-17(23(28)12-16)10-18-11-22(26(29)21-5-3-2-4-20(18)21)27(34)31-24-8-9-35-15-25(24)33/h2-7,11-14,24-25,33H,8-10,15H2,1H3,(H,31,34)/t24-,25-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112163
PNG
(CHEMBL3608419)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C24H25N5O3/c1-28-13-18(11-26-28)17-6-4-16(5-7-17)12-29-14-19(23-21(29)3-2-9-25-23)24(31)27-20-15-32-10-8-22(20)30/h2-7,9,11,13-14,20,22,30H,8,10,12,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261731
PNG
(1-Fluoro-N-((1S,2S)-2-hydroxycyclohexyl)-4-((6-(1-...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C27H27FN4O2/c1-32-16-19(15-30-32)23-11-10-17(14-29-23)12-18-13-22(26(28)21-7-3-2-6-20(18)21)27(34)31-24-8-4-5-9-25(24)33/h2-3,6-7,10-11,13-16,24-25,33H,4-5,8-9,12H2,1H3,(H,31,34)/t24-,25-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112165
PNG
(CHEMBL3608421)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1F
Show InChI InChI=1S/C24H24FN5O3/c1-29-12-16(10-27-29)17-5-4-15(9-19(17)25)11-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-10,12-13,20,22,31H,6,8,11,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112166
PNG
(CHEMBL3608422)
Show SMILES CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C22H24N4O4/c1-23-21(28)15-6-4-14(5-7-15)11-26-12-16(20-18(26)3-2-9-24-20)22(29)25-17-13-30-10-8-19(17)27/h2-7,9,12,17,19,27H,8,10-11,13H2,1H3,(H,23,28)(H,25,29)/t17-,19-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261730
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cc1
Show InChI InChI=1S/C27H26FN3O3/c1-31-15-20(14-29-31)18-8-6-17(7-9-18)12-19-13-23(26(28)22-5-3-2-4-21(19)22)27(33)30-24-10-11-34-16-25(24)32/h2-9,13-15,24-25,32H,10-12,16H2,1H3,(H,30,33)/t24-,25-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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n/an/an/an/a 23n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscari...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112162
PNG
(CHEMBL3608413)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C25H26FN5O2/c1-30-13-18(12-28-30)16-8-9-17(20(26)11-16)14-31-15-19(24-22(31)6-4-10-27-24)25(33)29-21-5-2-3-7-23(21)32/h4,6,8-13,15,21,23,32H,2-3,5,7,14H2,1H3,(H,29,33)/t21-,23-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261736
PNG
(1-fluoro-N- ((1SR,2RS)-2- hydroxy-2- methylcyclohe...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@]3(C)O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C28H29FN4O2/c1-28(35)12-6-5-9-25(28)32-27(34)23-14-19(21-7-3-4-8-22(21)26(23)29)13-18-10-11-24(30-15-18)20-16-31-33(2)17-20/h3-4,7-8,10-11,14-17,25,35H,5-6,9,12-13H2,1-2H3,(H,32,34)/t25-,28+/m0/s1
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n/an/an/an/a 41n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261735
PNG
(1-fluoro-N-((3S,4S)-4- hydroxytetrahydro-2H- pyran...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3COCC[C@@H]3O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-15-34-9-8-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112158
PNG
(CHEMBL3608417)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261716
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((3R...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C22H20ClFN2O3/c23-20-6-5-13(11-25-20)9-14-10-17(21(24)16-4-2-1-3-15(14)16)22(28)26-18-7-8-29-12-19(18)27/h1-6,10-11,18-19,27H,7-9,12H2,(H,26,28)/t18-,19-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112161
PNG
(CHEMBL3608414)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-6-8-33-14-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356968
PNG
(CHEMBL1916225)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C
Show InChI InChI=1S/C21H30FN3O3/c1-3-28-21(27)24-11-8-18(9-12-24)25-10-4-5-17(14-25)23-20(26)19-7-6-16(22)13-15(19)2/h6-7,13,17-18H,3-5,8-12,14H2,1-2H3,(H,23,26)/t17-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112159
PNG
(CHEMBL3608416)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@]3(C)O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C25H26FN5O3/c1-25(33)15-34-9-7-22(25)29-24(32)19-14-31(21-4-3-8-27-23(19)21)13-17-6-5-16(10-20(17)26)18-11-28-30(2)12-18/h3-6,8,10-12,14,22,33H,7,9,13,15H2,1-2H3,(H,29,32)/t22-,25+/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261727
PNG
(4-(4-cyanobenzyl)- 1-fluoro-N- ((3RS,4SR)-3- hydro...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)C#N)c2ccccc2c1F
Show InChI InChI=1S/C24H21FN2O3/c25-23-19-4-2-1-3-18(19)17(11-15-5-7-16(13-26)8-6-15)12-20(23)24(29)27-21-9-10-30-14-22(21)28/h1-8,12,21-22,28H,9-11,14H2,(H,27,29)/t21-,22-/m0/s1
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n/an/an/an/a 71n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112164
PNG
(CHEMBL3608420)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cn1
Show InChI InChI=1S/C23H24N6O3/c1-28-12-16(10-26-28)18-5-4-15(9-25-18)11-29-13-17(22-20(29)3-2-7-24-22)23(31)27-19-14-32-8-6-21(19)30/h2-5,7,9-10,12-13,19,21,30H,6,8,11,14H2,1H3,(H,27,31)/t19-,21-/m0/s1
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n/an/an/an/a 71n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112160
PNG
(CHEMBL3608415)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2nc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C24H25FN6O2/c1-30-13-17(12-27-30)15-8-9-16(18(25)11-15)14-31-20-6-4-10-26-22(20)23(29-31)24(33)28-19-5-2-3-7-21(19)32/h4,6,8-13,19,21,32H,2-3,5,7,14H2,1H3,(H,28,33)/t19-,21-/m0/s1
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n/an/an/an/a 72n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/an/an/a 80n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/an/an/a 80n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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n/an/an/an/a 90n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion(mediated by Muscarinic M1 receptor


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261733
PNG
(1-fluoro-N-[(3S,4R)- 3-hydroxytetra- hydropyran-4-...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@@H]3CCOC[C@H]3O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m1/s1
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n/an/an/an/a 97n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261715
PNG
(4-((6-Chloropyridin-3-yl)methyl)-1-fluoro-N-((1SR,...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C23H22ClFN2O2/c24-21-10-9-14(13-26-21)11-15-12-18(22(25)17-6-2-1-5-16(15)17)23(29)27-19-7-3-4-8-20(19)28/h1-2,5-6,9-10,12-13,19-20,28H,3-4,7-8,11H2,(H,27,29)/t19-,20-/m0/s1
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n/an/an/an/a 101n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005364
PNG
((3S,4R)3-Methyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES Cc1noc(n1)C1(C)CN2CCC1C2
Show InChI InChI=1S/C10H15N3O/c1-7-11-9(14-12-7)10(2)6-13-4-3-8(10)5-13/h8H,3-6H2,1-2H3
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n/an/an/an/a 110n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion(mediated by muscarinic acetylcholine receptor M1)


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261716
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((3R...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C22H20ClFN2O3/c23-20-6-5-13(11-25-20)9-14-10-17(21(24)16-4-2-1-3-15(14)16)22(28)26-18-7-8-29-12-19(18)27/h1-6,10-11,18-19,27H,7-9,12H2,(H,26,28)/t18-,19-/m0/s1
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n/an/an/an/a 118n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261715
PNG
(4-((6-Chloropyridin-3-yl)methyl)-1-fluoro-N-((1SR,...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C23H22ClFN2O2/c24-21-10-9-14(13-26-21)11-15-12-18(22(25)17-6-2-1-5-16(15)17)23(29)27-19-7-3-4-8-20(19)28/h1-2,5-6,9-10,12-13,19-20,28H,3-4,7-8,11H2,(H,27,29)/t19-,20-/m0/s1
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HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356970
PNG
(CHEMBL1916227)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43821
PNG
(4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM44251
PNG
(4-[2-[(3-fluorobenzoyl)amino]ethylamino]piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H24FN3O3/c1-2-24-17(23)21-10-6-15(7-11-21)19-8-9-20-16(22)13-4-3-5-14(18)12-13/h3-5,12,15,19H,2,6-11H2,1H3,(H,20,22)
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n/an/an/an/a 154n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM44250
PNG
(4-[2-[(4-fluorobenzoyl)amino]ethylamino]piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H24FN3O3/c1-2-24-17(23)21-11-7-15(8-12-21)19-9-10-20-16(22)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3,(H,20,22)
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n/an/an/an/a 154n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112157
PNG
(CHEMBL3608418)
Show SMILES Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12
Show InChI InChI=1S/C22H23N5O3/c1-26-18-5-4-14(9-15(18)10-24-26)11-27-12-16(21-19(27)3-2-7-23-21)22(29)25-17-13-30-8-6-20(17)28/h2-5,7,9-10,12,17,20,28H,6,8,11,13H2,1H3,(H,25,29)/t17-,20-/m0/s1
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n/an/an/an/a 163n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43821
PNG
(4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
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n/an/an/an/a 200n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM44252
PNG
(4-[2-[(3,4-difluorobenzoyl)amino]ethylamino]piperi...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H23F2N3O3/c1-2-25-17(24)22-9-5-13(6-10-22)20-7-8-21-16(23)12-3-4-14(18)15(19)11-12/h3-4,11,13,20H,2,5-10H2,1H3,(H,21,23)
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n/an/an/an/a 211n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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n/an/an/an/a 219n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscari...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261724
PNG
(1-Fluoro-N-((3RS,4SR)-3-hydroxytetrahydro-2H-pyran...)
Show SMILES Cc1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cc1
Show InChI InChI=1S/C24H24FNO3/c1-15-6-8-16(9-7-15)12-17-13-20(23(25)19-5-3-2-4-18(17)19)24(28)26-21-10-11-29-14-22(21)27/h2-9,13,21-22,27H,10-12,14H2,1H3,(H,26,28)/t21-,22-/m0/s1
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n/an/an/an/a 221n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356971
PNG
(CHEMBL1916228)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-12-9-18(10-13-23)24-11-5-7-17(15-24)22-20(25)16-6-4-8-19(14-16)27-2/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a 250n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261726
PNG
(4-(4-chlorobenzyl)- 1-fluoro-N- ((3RS,4SR)-3- hydr...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)cc2)c2ccccc2c1F
Show InChI InChI=1S/C23H21ClFNO3/c24-16-7-5-14(6-8-16)11-15-12-19(22(25)18-4-2-1-3-17(15)18)23(28)26-20-9-10-29-13-21(20)27/h1-8,12,20-21,27H,9-11,13H2,(H,26,28)/t20-,21-/m0/s1
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n/an/an/an/a 273n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356974
PNG
(CHEMBL1916229)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H27F2N3O3/c1-2-28-20(27)24-10-7-16(8-11-24)25-9-3-4-15(13-25)23-19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,23,26)/t15-/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261740
PNG
(4-((4-Cyano-4-(pyridin-2-yl)piperidin-1-yl)methyl)...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccc2c1F
Show InChI InChI=1S/C29H31FN4O2/c30-27-22-8-2-1-7-21(22)20(17-23(27)28(36)33-24-9-3-4-10-25(24)35)18-34-15-12-29(19-31,13-16-34)26-11-5-6-14-32-26/h1-2,5-8,11,14,17,24-25,35H,3-4,9-10,12-13,15-16,18H2,(H,33,36)/t24-,25-/m0/s1
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HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261738
PNG
(4-((6-Cyclopropylpyridin-3-yl)methyl)-1-fluoro-N-(...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(nc2)C2CC2)c2ccccc2c1F
Show InChI InChI=1S/C26H27FN2O2/c27-25-20-6-2-1-5-19(20)18(13-16-9-12-22(28-15-16)17-10-11-17)14-21(25)26(31)29-23-7-3-4-8-24(23)30/h1-2,5-6,9,12,14-15,17,23-24,30H,3-4,7-8,10-11,13H2,(H,29,31)/t23-,24-/m0/s1
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n/an/an/an/a 347n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261725
PNG
(4-benzyl-1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahyd...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)c2ccccc2c1F
Show InChI InChI=1S/C23H22FNO3/c24-22-18-9-5-4-8-17(18)16(12-15-6-2-1-3-7-15)13-19(22)23(27)25-20-10-11-28-14-21(20)26/h1-9,13,20-21,26H,10-12,14H2,(H,25,27)/t20-,21-/m0/s1
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n/an/an/an/a 356n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)

More data for this
Ligand-Target Pair
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