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Patent code US9670209

Compile Data Set for Download or QSAR
Found 69 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 M2


(Homo sapiens (Human))
BDBM193784
PNG
(US9670209, Compound 302 1-((R)-3-((1R,3R,5S)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C22H31N3O/c1-16(14-25-22-5-3-2-4-18(22)12-23-25)13-24-19-8-9-20(24)11-21(10-19)26-15-17-6-7-17/h2-5,12,16-17,19-21H,6-11,13-15H2,1H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193789
PNG
(US9670209, Compound 307 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C22H30FN3O/c1-15(13-26-22-8-18(23)5-4-17(22)11-24-26)12-25-19-6-7-20(25)10-21(9-19)27-14-16-2-3-16/h4-5,8,11,15-16,19-21H,2-3,6-7,9-10,12-14H2,1H3/t15-,19-,20+,21+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193802
PNG
(US9670209, Compound 312 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C22H33N3O/c1-16-4-5-19-13-23-25(22(19)10-16)15-17(2)14-24-20-6-7-21(24)12-18(11-20)8-9-26-3/h4-5,10,13,17-18,20-21H,6-9,11-12,14-15H2,1-3H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 32n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193788
PNG
(US9670209, Compound 305 1-((R)-3-((1R,3R,5S)-3-(Al...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h3-7,13,16,18-20H,1,8-12,14-15H2,2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/an/an/a 1.60E+3n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/an/an/a 790n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
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n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193784
PNG
(US9670209, Compound 302 1-((R)-3-((1R,3R,5S)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C22H31N3O/c1-16(14-25-22-5-3-2-4-18(22)12-23-25)13-24-19-8-9-20(24)11-21(10-19)26-15-17-6-7-17/h2-5,12,16-17,19-21H,6-11,13-15H2,1H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193784
PNG
(US9670209, Compound 302 1-((R)-3-((1R,3R,5S)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C22H31N3O/c1-16(14-25-22-5-3-2-4-18(22)12-23-25)13-24-19-8-9-20(24)11-21(10-19)26-15-17-6-7-17/h2-5,12,16-17,19-21H,6-11,13-15H2,1H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 160n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193789
PNG
(US9670209, Compound 307 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C22H30FN3O/c1-15(13-26-22-8-18(23)5-4-17(22)11-24-26)12-25-19-6-7-20(25)10-21(9-19)27-14-16-2-3-16/h4-5,8,11,15-16,19-21H,2-3,6-7,9-10,12-14H2,1H3/t15-,19-,20+,21+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193790
PNG
(US9670209, Compound 308 1-((R)-3-(3-(Allyloxy)-8-a...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H28FN3O/c1-3-8-26-20-10-18-6-7-19(11-20)24(18)13-15(2)14-25-21-9-17(22)5-4-16(21)12-23-25/h3-5,9,12,15,18-20H,1,6-8,10-11,13-14H2,2H3/t15-,18-,19+,20+/m1/s1
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n/an/an/an/a 40n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193790
PNG
(US9670209, Compound 308 1-((R)-3-(3-(Allyloxy)-8-a...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H28FN3O/c1-3-8-26-20-10-18-6-7-19(11-20)24(18)13-15(2)14-25-21-9-17(22)5-4-16(21)12-23-25/h3-5,9,12,15,18-20H,1,6-8,10-11,13-14H2,2H3/t15-,18-,19+,20+/m1/s1
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n/an/an/an/a 500n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193795
PNG
(US9670209, Compound 310 1-((R)-3-((1R,3R,5S)-3-(cy...)
Show SMILES CCOC(=O)c1ccc2cnn(C[C@H](C)CN3[C@H]4CC[C@@H]3C[C@@H](C4)OCC3CC3)c2c1
Show InChI InChI=1S/C25H35N3O3/c1-3-30-25(29)19-6-7-20-13-26-28(24(20)10-19)15-17(2)14-27-21-8-9-22(27)12-23(11-21)31-16-18-4-5-18/h6-7,10,13,17-18,21-23H,3-5,8-9,11-12,14-16H2,1-2H3/t17-,21-,22+,23+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193800
PNG
(US9670209, Compound 311 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COc1ccc2cnn(C[C@H](C)CN3[C@H]4CC[C@@H]3C[C@@H](C4)OCC3CC3)c2c1
Show InChI InChI=1S/C23H33N3O2/c1-16(14-26-23-11-21(27-2)8-5-18(23)12-24-26)13-25-19-6-7-20(25)10-22(9-19)28-15-17-3-4-17/h5,8,11-12,16-17,19-20,22H,3-4,6-7,9-10,13-15H2,1-2H3/t16-,19-,20+,22+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193804
PNG
(US9670209, Compound 314 1-((R)-3-((1R,3R,58)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1CCCC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C23H33N3O/c1-17(16-26-23-9-5-2-6-18(23)14-24-26)15-25-19-10-11-20(25)13-22(12-19)27-21-7-3-4-8-21/h2,5-6,9,14,17,19-22H,3-4,7-8,10-13,15-16H2,1H3/t17-,19-,20+,22+/m1/s1
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n/an/an/an/a 4n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193807
PNG
(US9670209, Compound 317 1-((R)-3-(3-(cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2cccc(C)c12
Show InChI InChI=1S/C23H33N3O/c1-16(14-26-23-17(2)4-3-5-19(23)12-24-26)13-25-20-8-9-21(25)11-22(10-20)27-15-18-6-7-18/h3-5,12,16,18,20-22H,6-11,13-15H2,1-2H3/t16-,20-,21+,22+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193808
PNG
(US9670209, Compound 318 1-((R)-3-((1R,3R,5S)-3-(pr...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC#C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H27N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h1,4-7,13,16,18-20H,8-12,14-15H2,2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 63n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193819
PNG
(US9670209, Compound 321 1-((R)-3-(3-(cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2cc(C)ccc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-8-23-19(9-16)12-24-26(23)14-17(2)13-25-20-6-7-21(25)11-22(10-20)27-15-18-4-5-18/h3,8-9,12,17-18,20-22H,4-7,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 40n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193788
PNG
(US9670209, Compound 305 1-((R)-3-((1R,3R,5S)-3-(Al...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h3-7,13,16,18-20H,1,8-12,14-15H2,2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193790
PNG
(US9670209, Compound 308 1-((R)-3-(3-(Allyloxy)-8-a...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H28FN3O/c1-3-8-26-20-10-18-6-7-19(11-20)24(18)13-15(2)14-25-21-9-17(22)5-4-16(21)12-23-25/h3-5,9,12,15,18-20H,1,6-8,10-11,13-14H2,2H3/t15-,18-,19+,20+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193790
PNG
(US9670209, Compound 308 1-((R)-3-(3-(Allyloxy)-8-a...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H28FN3O/c1-3-8-26-20-10-18-6-7-19(11-20)24(18)13-15(2)14-25-21-9-17(22)5-4-16(21)12-23-25/h3-5,9,12,15,18-20H,1,6-8,10-11,13-14H2,2H3/t15-,18-,19+,20+/m1/s1
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n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193807
PNG
(US9670209, Compound 317 1-((R)-3-(3-(cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2cccc(C)c12
Show InChI InChI=1S/C23H33N3O/c1-16(14-26-23-17(2)4-3-5-19(23)12-24-26)13-25-20-8-9-21(25)11-22(10-20)27-15-18-6-7-18/h3-5,12,16,18,20-22H,6-11,13-15H2,1-2H3/t16-,20-,21+,22+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193825
PNG
(US9670209, Compound 324 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H35N3O/c1-4-27-10-9-19-12-21-7-8-22(13-19)25(21)15-18(3)16-26-23-11-17(2)5-6-20(23)14-24-26/h5-6,11,14,18-19,21-22H,4,7-10,12-13,15-16H2,1-3H3/t18-,19-,21+,22-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193791
PNG
(US9670209, Compound 309 1-((R)-3-(3-(2-Methoxyethy...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H30FN3O/c1-15(14-25-21-11-18(22)4-3-17(21)12-23-25)13-24-19-5-6-20(24)10-16(9-19)7-8-26-2/h3-4,11-12,15-16,19-20H,5-10,13-14H2,1-2H3/t15-,16-,19+,20-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193806
PNG
(US9670209, Compound 316 1-((R)-3-(3-(cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1nc(C)c2ccccc12
Show InChI InChI=1S/C23H33N3O/c1-16(14-26-23-6-4-3-5-22(23)17(2)24-26)13-25-19-9-10-20(25)12-21(11-19)27-15-18-7-8-18/h3-6,16,18-21H,7-15H2,1-2H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193819
PNG
(US9670209, Compound 321 1-((R)-3-(3-(cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2cc(C)ccc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-8-23-19(9-16)12-24-26(23)14-17(2)13-25-20-6-7-21(25)11-22(10-20)27-15-18-4-5-18/h3,8-9,12,17-18,20-22H,4-7,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193788
PNG
(US9670209, Compound 305 1-((R)-3-((1R,3R,5S)-3-(Al...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h3-7,13,16,18-20H,1,8-12,14-15H2,2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/an/an/a 4.00E+3n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193784
PNG
(US9670209, Compound 302 1-((R)-3-((1R,3R,5S)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C22H31N3O/c1-16(14-25-22-5-3-2-4-18(22)12-23-25)13-24-19-8-9-20(24)11-21(10-19)26-15-17-6-7-17/h2-5,12,16-17,19-21H,6-11,13-15H2,1H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193785
PNG
(US9670209, Compound 303 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H31N3O/c1-16(15-24-21-6-4-3-5-18(21)13-22-24)14-23-19-7-8-20(23)12-17(11-19)9-10-25-2/h3-6,13,16-17,19-20H,7-12,14-15H2,1-2H3/t16-,17-,19+,20-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193789
PNG
(US9670209, Compound 307 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C22H30FN3O/c1-15(13-26-22-8-18(23)5-4-17(22)11-24-26)12-25-19-6-7-20(25)10-21(9-19)27-14-16-2-3-16/h4-5,8,11,15-16,19-21H,2-3,6-7,9-10,12-14H2,1H3/t15-,19-,20+,21+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193800
PNG
(US9670209, Compound 311 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COc1ccc2cnn(C[C@H](C)CN3[C@H]4CC[C@@H]3C[C@@H](C4)OCC3CC3)c2c1
Show InChI InChI=1S/C23H33N3O2/c1-16(14-26-23-11-21(27-2)8-5-18(23)12-24-26)13-25-19-6-7-20(25)10-22(9-19)28-15-17-3-4-17/h5,8,11-12,16-17,19-20,22H,3-4,6-7,9-10,13-15H2,1-2H3/t16-,19-,20+,22+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193802
PNG
(US9670209, Compound 312 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C22H33N3O/c1-16-4-5-19-13-23-25(22(19)10-16)15-17(2)14-24-20-6-7-21(24)12-18(11-20)8-9-26-3/h4-5,10,13,17-18,20-21H,6-9,11-12,14-15H2,1-3H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193806
PNG
(US9670209, Compound 316 1-((R)-3-(3-(cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1nc(C)c2ccccc12
Show InChI InChI=1S/C23H33N3O/c1-16(14-26-23-6-4-3-5-22(23)17(2)24-26)13-25-19-9-10-20(25)12-21(11-19)27-15-18-7-8-18/h3-6,16,18-21H,7-15H2,1-2H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 250n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193815
PNG
(US9670209, Compound 319 1-((R)-3-(3-(propoxy)-8-az...)
Show SMILES CCCO[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H31N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h4-7,13,16,18-20H,3,8-12,14-15H2,1-2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193823
PNG
(US9670209, Compound 323 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C22H33N3O/c1-3-26-11-10-18-12-20-8-9-21(13-18)24(20)15-17(2)16-25-22-7-5-4-6-19(22)14-23-25/h4-7,14,17-18,20-21H,3,8-13,15-16H2,1-2H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 0.790n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193788
PNG
(US9670209, Compound 305 1-((R)-3-((1R,3R,5S)-3-(Al...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h3-7,13,16,18-20H,1,8-12,14-15H2,2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193791
PNG
(US9670209, Compound 309 1-((R)-3-(3-(2-Methoxyethy...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H30FN3O/c1-15(14-25-21-11-18(22)4-3-17(21)12-23-25)13-24-19-5-6-20(24)10-16(9-19)7-8-26-2/h3-4,11-12,15-16,19-20H,5-10,13-14H2,1-2H3/t15-,16-,19+,20-/m1/s1
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n/an/an/an/a 32n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193802
PNG
(US9670209, Compound 312 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C22H33N3O/c1-16-4-5-19-13-23-25(22(19)10-16)15-17(2)14-24-20-6-7-21(24)12-18(11-20)8-9-26-3/h4-5,10,13,17-18,20-21H,6-9,11-12,14-15H2,1-3H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193802
PNG
(US9670209, Compound 312 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C22H33N3O/c1-16-4-5-19-13-23-25(22(19)10-16)15-17(2)14-24-20-6-7-21(24)12-18(11-20)8-9-26-3/h4-5,10,13,17-18,20-21H,6-9,11-12,14-15H2,1-3H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193803
PNG
(US9670209, Compound 313 1-((R)-3-((1R,3R,58)-3-(2-...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(OC)cc12
Show InChI InChI=1S/C22H33N3O2/c1-16(15-25-22-12-21(27-3)7-4-18(22)13-23-25)14-24-19-5-6-20(24)11-17(10-19)8-9-26-2/h4,7,12-13,16-17,19-20H,5-6,8-11,14-15H2,1-3H3/t16-,17-,19+,20-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193805
PNG
(US9670209, Compound 315 1-((R)-3-(3-(cyclobutylmet...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CCC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C23H33N3O/c1-17(15-26-23-8-3-2-7-19(23)13-24-26)14-25-20-9-10-21(25)12-22(11-20)27-16-18-5-4-6-18/h2-3,7-8,13,17-18,20-22H,4-6,9-12,14-16H2,1H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193818
PNG
(US9670209, Compound 320 1-((R)-3-((1R,3R,58)-3-(2-...)
Show SMILES COC\C=C1\C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-16(15-24-21-6-4-3-5-18(21)13-22-24)14-23-19-7-8-20(23)12-17(11-19)9-10-25-2/h3-6,9,13,16,19-20H,7-8,10-12,14-15H2,1-2H3/b17-9-/t16-,19+,20-/m1/s1
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n/an/an/an/a 6.30n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193820
PNG
(US9670209, Compound 322 1-((R)-3-((1R,3R,5S)-3-(pr...)
Show SMILES COc1ccc2cnn(C[C@H](C)CN3[C@H]4CC[C@@H]3C[C@@H](C4)OCC#C)c2c1
Show InChI InChI=1S/C22H29N3O2/c1-4-9-27-21-10-18-6-7-19(11-21)24(18)14-16(2)15-25-22-12-20(26-3)8-5-17(22)13-23-25/h1,5,8,12-13,16,18-19,21H,6-7,9-11,14-15H2,2-3H3/t16-,18-,19+,21+/m1/s1
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n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193823
PNG
(US9670209, Compound 323 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C22H33N3O/c1-3-26-11-10-18-12-20-8-9-21(13-18)24(20)15-17(2)16-25-22-7-5-4-6-19(22)14-23-25/h4-7,14,17-18,20-21H,3,8-13,15-16H2,1-2H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193785
PNG
(US9670209, Compound 303 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H31N3O/c1-16(15-24-21-6-4-3-5-18(21)13-22-24)14-23-19-7-8-20(23)12-17(11-19)9-10-25-2/h3-6,13,16-17,19-20H,7-12,14-15H2,1-2H3/t16-,17-,19+,20-/m1/s1
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n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193791
PNG
(US9670209, Compound 309 1-((R)-3-(3-(2-Methoxyethy...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H30FN3O/c1-15(14-25-21-11-18(22)4-3-17(21)12-23-25)13-24-19-5-6-20(24)10-16(9-19)7-8-26-2/h3-4,11-12,15-16,19-20H,5-10,13-14H2,1-2H3/t15-,16-,19+,20-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193803
PNG
(US9670209, Compound 313 1-((R)-3-((1R,3R,58)-3-(2-...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(OC)cc12
Show InChI InChI=1S/C22H33N3O2/c1-16(15-25-22-12-21(27-3)7-4-18(22)13-23-25)14-24-19-5-6-20(24)11-17(10-19)8-9-26-2/h4,7,12-13,16-17,19-20H,5-6,8-11,14-15H2,1-3H3/t16-,17-,19+,20-/m1/s1
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n/an/an/an/a 6.30n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193804
PNG
(US9670209, Compound 314 1-((R)-3-((1R,3R,58)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1CCCC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C23H33N3O/c1-17(16-26-23-9-5-2-6-18(23)14-24-26)15-25-19-10-11-20(25)13-22(12-19)27-21-7-3-4-8-21/h2,5-6,9,14,17,19-22H,3-4,7-8,10-13,15-16H2,1H3/t17-,19-,20+,22+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193808
PNG
(US9670209, Compound 318 1-((R)-3-((1R,3R,5S)-3-(pr...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC#C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H27N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h1,4-7,13,16,18-20H,8-12,14-15H2,2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193815
PNG
(US9670209, Compound 319 1-((R)-3-(3-(propoxy)-8-az...)
Show SMILES CCCO[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H31N3O/c1-3-10-25-20-11-18-8-9-19(12-20)23(18)14-16(2)15-24-21-7-5-4-6-17(21)13-22-24/h4-7,13,16,18-20H,3,8-12,14-15H2,1-2H3/t16-,18-,19+,20+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
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n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193789
PNG
(US9670209, Compound 307 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C22H30FN3O/c1-15(13-26-22-8-18(23)5-4-17(22)11-24-26)12-25-19-6-7-20(25)10-21(9-19)27-14-16-2-3-16/h4-5,8,11,15-16,19-21H,2-3,6-7,9-10,12-14H2,1H3/t15-,19-,20+,21+/m1/s1
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n/an/an/an/a 0.320n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193791
PNG
(US9670209, Compound 309 1-((R)-3-(3-(2-Methoxyethy...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C21H30FN3O/c1-15(14-25-21-11-18(22)4-3-17(21)12-23-25)13-24-19-5-6-20(24)10-16(9-19)7-8-26-2/h3-4,11-12,15-16,19-20H,5-10,13-14H2,1-2H3/t15-,16-,19+,20-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193805
PNG
(US9670209, Compound 315 1-((R)-3-(3-(cyclobutylmet...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CCC1)Cn1ncc2ccccc12
Show InChI InChI=1S/C23H33N3O/c1-17(15-26-23-8-3-2-7-19(23)13-24-26)14-25-20-9-10-21(25)12-22(11-20)27-16-18-5-4-6-18/h2-3,7-8,13,17-18,20-22H,4-6,9-12,14-16H2,1H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193818
PNG
(US9670209, Compound 320 1-((R)-3-((1R,3R,58)-3-(2-...)
Show SMILES COC\C=C1\C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12
Show InChI InChI=1S/C21H29N3O/c1-16(15-24-21-6-4-3-5-18(21)13-22-24)14-23-19-7-8-20(23)12-17(11-19)9-10-25-2/h3-6,9,13,16,19-20H,7-8,10-12,14-15H2,1-2H3/b17-9-/t16-,19+,20-/m1/s1
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n/an/an/an/a 63n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193820
PNG
(US9670209, Compound 322 1-((R)-3-((1R,3R,5S)-3-(pr...)
Show SMILES COc1ccc2cnn(C[C@H](C)CN3[C@H]4CC[C@@H]3C[C@@H](C4)OCC#C)c2c1
Show InChI InChI=1S/C22H29N3O2/c1-4-9-27-21-10-18-6-7-19(11-21)24(18)14-16(2)15-25-22-12-20(26-3)8-5-17(22)13-23-25/h1,5,8,12-13,16,18-19,21H,6-7,9-11,14-15H2,2-3H3/t16-,18-,19+,21+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM193825
PNG
(US9670209, Compound 324 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H35N3O/c1-4-27-10-9-19-12-21-7-8-22(13-19)25(21)15-18(3)16-26-23-11-17(2)5-6-20(23)14-24-26/h5-6,11,14,18-19,21-22H,4,7-10,12-13,15-16H2,1-3H3/t18-,19-,21+,22-/m1/s1
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n/an/an/an/a 0.790n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 40n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/an/an/a 1.60E+3n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)

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