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Patent code US9708302

Compile Data Set for Download or QSAR
Found 46 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 and M3


(Homo sapiens (Human))
BDBM261720
PNG
(4-((6-chloropydridin-3- yl)methyl)-1-fluoro-N-((1S...)
Show SMILES O[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C22H20ClFN2O2/c23-20-9-8-13(12-25-20)10-14-11-17(21(24)16-5-2-1-4-15(14)16)22(28)26-18-6-3-7-19(18)27/h1-2,4-5,8-9,11-12,18-19,27H,3,6-7,10H2,(H,26,28)/t18-,19+/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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM261737
PNG
(1-Fluoro-N-((1SR,2SR)-2-hydroxycyclohexyl)-4-((6-m...)
Show SMILES Cc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C24H25FN2O2/c1-15-10-11-16(14-26-15)12-17-13-20(23(25)19-7-3-2-6-18(17)19)24(29)27-21-8-4-5-9-22(21)28/h2-3,6-7,10-11,13-14,21-22,28H,4-5,8-9,12H2,1H3,(H,27,29)/t21-,22-/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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM261722
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((1S...)
Show SMILES C[C@@]1(O)CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C24H24ClFN2O2/c1-24(30)11-5-4-8-20(24)28-23(29)19-13-16(12-15-9-10-21(25)27-14-15)17-6-2-3-7-18(17)22(19)26/h2-3,6-7,9-10,13-14,20,30H,4-5,8,11-12H2,1H3,(H,28,29)/t20-,24+/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM261718
PNG
(4-((6-Chloropyridin-3-yl)methyl)-1-fluoro-N-((3S,4...)
Show SMILES O[C@H]1CCOC[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)26-18-12-29-8-7-19(18)27/h1-6,10-11,18-19,27H,7-9,12H2,(H,26,28)/t18-,19-/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM261719
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((1S...)
Show SMILES O[C@H]1CCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C22H20ClFN2O2/c23-20-9-8-13(12-25-20)10-14-11-17(21(24)16-5-2-1-4-15(14)16)22(28)26-18-6-3-7-19(18)27/h1-2,4-5,8-9,11-12,18-19,27H,3,6-7,10H2,(H,26,28)/t18-,19-/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM261721
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((1S...)
Show SMILES C[C@]1(O)CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C24H24ClFN2O2/c1-24(30)11-5-4-8-20(24)28-23(29)19-13-16(12-15-9-10-21(25)27-14-15)17-6-2-3-7-18(17)22(19)26/h2-3,6-7,9-10,13-14,20,30H,4-5,8,11-12H2,1H3,(H,28,29)/t20-,24-/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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...


Citation and Details
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...


Citation and Details
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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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...


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


(RAT)
BDBM261737
PNG
(1-Fluoro-N-((1SR,2SR)-2-hydroxycyclohexyl)-4-((6-m...)
Show SMILES Cc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(F)c3ccccc23)cn1
Show InChI InChI=1S/C24H25FN2O2/c1-15-10-11-16(14-26-15)12-17-13-20(23(25)19-7-3-2-6-18(17)19)24(29)27-21-8-4-5-9-22(21)28/h2-3,6-7,10-11,13-14,21-22,28H,4-5,8-9,12H2,1H3,(H,27,29)/t21-,22-/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM261729
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(OC(F)(F)F)cc2)c2ccccc2c1F
Show InChI InChI=1S/C24H21F4NO4/c25-22-18-4-2-1-3-17(18)15(11-14-5-7-16(8-6-14)33-24(26,27)28)12-19(22)23(31)29-20-9-10-32-13-21(20)30/h1-8,12,20-21,30H,9-11,13H2,(H,29,31)/t20-,21-/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM261723
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((1S...)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


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


(RAT)
BDBM261719
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((1S...)
Show SMILES O[C@H]1CCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1S/C22H20ClFN2O2/c23-20-9-8-13(12-25-20)10-14-11-17(21(24)16-5-2-1-4-15(14)16)22(28)26-18-6-3-7-19(18)27/h1-2,4-5,8-9,11-12,18-19,27H,3,6-7,10H2,(H,26,28)/t18-,19-/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%