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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'okha-mokube' and Initial = 'fm'   
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))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 7n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50038210
PNG
(5-(2-Ethyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCn1nnc(n1)C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
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n/an/an/an/a 296n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50119648
PNG
(Talsaclidine)
Show SMILES C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|
Show InChI InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
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n/an/an/an/a 849n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/an/an/a 121n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 205n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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n/an/an/an/a 117n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50119648
PNG
(Talsaclidine)
Show SMILES C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|
Show InChI InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119623
PNG
(CHEMBL3618436)
Show SMILES C\C(Nc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C24H21BrFN3O2/c1-14(27-19-10-7-18(26)8-11-19)28-20-9-4-16-12-22(30)23(21(16)13-20)29-24(31)15-2-5-17(25)6-3-15/h2-11,13,22-23,30H,12H2,1H3,(H,27,28)(H,29,31)/t22-,23-/m1/s1
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n/an/an/an/a 1.11E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119626
PNG
(CHEMBL3618440)
Show SMILES C\C(NCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C25H23BrFN3O2/c1-15(28-14-16-2-9-20(27)10-3-16)29-21-11-6-18-12-23(31)24(22(18)13-21)30-25(32)17-4-7-19(26)8-5-17/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
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n/an/an/an/a 115n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119630
PNG
(CHEMBL3618444)
Show SMILES C\C(NCc1cccc(F)c1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C25H23BrFN3O2/c1-15(28-14-16-3-2-4-20(27)11-16)29-21-10-7-18-12-23(31)24(22(18)13-21)30-25(32)17-5-8-19(26)9-6-17/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
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n/an/an/an/a 355n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119632
PNG
(CHEMBL3618445)
Show SMILES C\C(NCc1ccccc1F)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C25H23BrFN3O2/c1-15(28-14-18-4-2-3-5-22(18)27)29-20-11-8-17-12-23(31)24(21(17)13-20)30-25(32)16-6-9-19(26)10-7-16/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
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n/an/an/an/a 227n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119636
PNG
(CHEMBL3616497)
Show SMILES COc1ccc(CCN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H28BrN3O3/c1-17(29-14-13-18-3-11-23(34-2)12-4-18)30-22-10-7-20-15-25(32)26(24(20)16-22)31-27(33)19-5-8-21(28)9-6-19/h3-12,16,25-26,32H,13-15H2,1-2H3,(H,29,30)(H,31,33)/t25-,26-/m1/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119637
PNG
(CHEMBL3618447)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C26H25BrFN3O2/c1-16(31(2)15-17-3-10-21(28)11-4-17)29-22-12-7-19-13-24(32)25(23(19)14-22)30-26(33)18-5-8-20(27)9-6-18/h3-12,14,24-25,32H,13,15H2,1-2H3,(H,30,33)/b29-16+/t24-,25-/m1/s1
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n/an/an/an/a 3.72E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119639
PNG
(CHEMBL3618449)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)c2c1 |r|
Show InChI InChI=1S/C26H25F2N3O2/c1-16(31(2)15-17-3-8-20(27)9-4-17)29-22-12-7-19-13-24(32)25(23(19)14-22)30-26(33)18-5-10-21(28)11-6-18/h3-12,14,24-25,32H,13,15H2,1-2H3,(H,30,33)/b29-16+/t24-,25-/m1/s1
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n/an/an/an/a 392n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119641
PNG
(CHEMBL3618450)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Cl)cc3)c2c1 |r|
Show InChI InChI=1S/C26H25ClFN3O2/c1-16(31(2)15-17-3-10-21(28)11-4-17)29-22-12-7-19-13-24(32)25(23(19)14-22)30-26(33)18-5-8-20(27)9-6-18/h3-12,14,24-25,32H,13,15H2,1-2H3,(H,30,33)/b29-16+/t24-,25-/m1/s1
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n/an/an/an/a 405n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119644
PNG
(CHEMBL3616499)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(C)cc3)c2c1 |r|
Show InChI InChI=1S/C27H28FN3O2/c1-17-4-8-20(9-5-17)27(33)30-26-24-15-23(13-10-21(24)14-25(26)32)29-18(2)31(3)16-19-6-11-22(28)12-7-19/h4-13,15,25-26,32H,14,16H2,1-3H3,(H,30,33)/b29-18+/t25-,26-/m1/s1
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n/an/an/an/a 235n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119645
PNG
(CHEMBL3616500)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C27H25F4N3O2/c1-16(34(2)15-17-3-10-21(28)11-4-17)32-22-12-7-19-13-24(35)25(23(19)14-22)33-26(36)18-5-8-20(9-6-18)27(29,30)31/h3-12,14,24-25,35H,13,15H2,1-2H3,(H,33,36)/b32-16+/t24-,25-/m1/s1
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n/an/an/an/a 393n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119646
PNG
(CHEMBL3616501)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1 |r|
Show InChI InChI=1S/C32H30FN3O2/c1-21(36(2)20-22-8-15-27(33)16-9-22)34-28-17-14-26-18-30(37)31(29(26)19-28)35-32(38)25-12-10-24(11-13-25)23-6-4-3-5-7-23/h3-17,19,30-31,37H,18,20H2,1-2H3,(H,35,38)/b34-21+/t30-,31-/m1/s1
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n/an/an/an/a 1.06E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119647
PNG
(CHEMBL3616504)
Show SMILES CN1CCCC\C1=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C22H24BrN3O2/c1-26-11-3-2-4-20(26)24-17-10-7-15-12-19(27)21(18(15)13-17)25-22(28)14-5-8-16(23)9-6-14/h5-10,13,19,21,27H,2-4,11-12H2,1H3,(H,25,28)/b24-20+/t19-,21-/m1/s1
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n/an/an/an/a 113n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 49n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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n/an/an/an/a 214n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50119648
PNG
(Talsaclidine)
Show SMILES C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|
Show InChI InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
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n/an/an/an/a 844n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/an/an/a 229n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 19n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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n/an/an/an/a 123n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50119648
PNG
(Talsaclidine)
Show SMILES C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|
Show InChI InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
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n/an/an/an/a 422n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/an/an/a 142n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119623
PNG
(CHEMBL3618436)
Show SMILES C\C(Nc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C24H21BrFN3O2/c1-14(27-19-10-7-18(26)8-11-19)28-20-9-4-16-12-22(30)23(21(16)13-20)29-24(31)15-2-5-17(25)6-3-15/h2-11,13,22-23,30H,12H2,1H3,(H,27,28)(H,29,31)/t22-,23-/m1/s1
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n/an/an/an/a 51n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119624
PNG
(CHEMBL3618437)
Show SMILES CN(\C(C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H23BrFN3O2/c1-15(30(2)21-11-8-19(27)9-12-21)28-20-10-5-17-13-23(31)24(22(17)14-20)29-25(32)16-3-6-18(26)7-4-16/h3-12,14,23-24,31H,13H2,1-2H3,(H,29,32)/b28-15+/t23-,24-/m1/s1
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n/an/an/an/a 118n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119625
PNG
(CHEMBL3618439)
Show SMILES COc1ccc(N\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|
Show InChI InChI=1S/C25H24BrN3O3/c1-15(27-19-9-11-21(32-2)12-10-19)28-20-8-5-17-13-23(30)24(22(17)14-20)29-25(31)16-3-6-18(26)7-4-16/h3-12,14,23-24,30H,13H2,1-2H3,(H,27,28)(H,29,31)/t23-,24-/m1/s1
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n/an/an/an/a 105n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119626
PNG
(CHEMBL3618440)
Show SMILES C\C(NCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C25H23BrFN3O2/c1-15(28-14-16-2-9-20(27)10-3-16)29-21-11-6-18-12-23(31)24(22(18)13-21)30-25(32)17-4-7-19(26)8-5-17/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119627
PNG
(CHEMBL3618441)
Show SMILES COc1cccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)c1 |r|
Show InChI InChI=1S/C26H26BrN3O3/c1-16(28-15-17-4-3-5-22(12-17)33-2)29-21-11-8-19-13-24(31)25(23(19)14-21)30-26(32)18-6-9-20(27)10-7-18/h3-12,14,24-25,31H,13,15H2,1-2H3,(H,28,29)(H,30,32)/t24-,25-/m1/s1
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n/an/an/an/a 198n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119628
PNG
(CHEMBL3618442)
Show SMILES COc1ccccc1CN\C(C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C26H26BrN3O3/c1-16(28-15-19-5-3-4-6-24(19)33-2)29-21-12-9-18-13-23(31)25(22(18)14-21)30-26(32)17-7-10-20(27)11-8-17/h3-12,14,23,25,31H,13,15H2,1-2H3,(H,28,29)(H,30,32)/t23-,25-/m1/s1
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n/an/an/an/a 572n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119629
PNG
(CHEMBL3618443)
Show SMILES COc1ccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|
Show InChI InChI=1S/C26H26BrN3O3/c1-16(28-15-17-3-11-22(33-2)12-4-17)29-21-10-7-19-13-24(31)25(23(19)14-21)30-26(32)18-5-8-20(27)9-6-18/h3-12,14,24-25,31H,13,15H2,1-2H3,(H,28,29)(H,30,32)/t24-,25-/m1/s1
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n/an/an/an/a 837n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119630
PNG
(CHEMBL3618444)
Show SMILES C\C(NCc1cccc(F)c1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C25H23BrFN3O2/c1-15(28-14-16-3-2-4-20(27)11-16)29-21-10-7-18-12-23(31)24(22(18)13-21)30-25(32)17-5-8-19(26)9-6-17/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119632
PNG
(CHEMBL3618445)
Show SMILES C\C(NCc1ccccc1F)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C25H23BrFN3O2/c1-15(28-14-18-4-2-3-5-22(18)27)29-20-11-8-17-12-23(31)24(21(17)13-20)30-25(32)16-6-9-19(26)10-7-16/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
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n/an/an/an/a 87n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119635
PNG
(CHEMBL3618446)
Show SMILES C\C(NCCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C26H25BrFN3O2/c1-16(29-13-12-17-2-9-21(28)10-3-17)30-22-11-6-19-14-24(32)25(23(19)15-22)31-26(33)18-4-7-20(27)8-5-18/h2-11,15,24-25,32H,12-14H2,1H3,(H,29,30)(H,31,33)/t24-,25-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119636
PNG
(CHEMBL3616497)
Show SMILES COc1ccc(CCN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H28BrN3O3/c1-17(29-14-13-18-3-11-23(34-2)12-4-18)30-22-10-7-20-15-25(32)26(24(20)16-22)31-27(33)19-5-8-21(28)9-6-19/h3-12,16,25-26,32H,13-15H2,1-2H3,(H,29,30)(H,31,33)/t25-,26-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119637
PNG
(CHEMBL3618447)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C26H25BrFN3O2/c1-16(31(2)15-17-3-10-21(28)11-4-17)29-22-12-7-19-13-24(32)25(23(19)14-22)30-26(33)18-5-8-20(27)9-6-18/h3-12,14,24-25,32H,13,15H2,1-2H3,(H,30,33)/b29-16+/t24-,25-/m1/s1
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n/an/an/an/a 154n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119638
PNG
(CHEMBL3618448)
Show SMILES CN(CCc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C27H27BrFN3O2/c1-17(32(2)14-13-18-3-10-22(29)11-4-18)30-23-12-7-20-15-25(33)26(24(20)16-23)31-27(34)19-5-8-21(28)9-6-19/h3-12,16,25-26,33H,13-15H2,1-2H3,(H,31,34)/b30-17+/t25-,26-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119639
PNG
(CHEMBL3618449)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)c2c1 |r|
Show InChI InChI=1S/C26H25F2N3O2/c1-16(31(2)15-17-3-8-20(27)9-4-17)29-22-12-7-19-13-24(32)25(23(19)14-22)30-26(33)18-5-10-21(28)11-6-18/h3-12,14,24-25,32H,13,15H2,1-2H3,(H,30,33)/b29-16+/t24-,25-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119641
PNG
(CHEMBL3618450)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Cl)cc3)c2c1 |r|
Show InChI InChI=1S/C26H25ClFN3O2/c1-16(31(2)15-17-3-10-21(28)11-4-17)29-22-12-7-19-13-24(32)25(23(19)14-22)30-26(33)18-5-8-20(27)9-6-18/h3-12,14,24-25,32H,13,15H2,1-2H3,(H,30,33)/b29-16+/t24-,25-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119643
PNG
(CHEMBL3616498)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1[C@H](O)Cc2ccc(cc12)\N=C(/C)N(C)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H28FN3O3/c1-17(31(2)16-18-4-9-21(28)10-5-18)29-22-11-6-20-14-25(32)26(24(20)15-22)30-27(33)19-7-12-23(34-3)13-8-19/h4-13,15,25-26,32H,14,16H2,1-3H3,(H,30,33)/b29-17+/t25-,26-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119644
PNG
(CHEMBL3616499)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(C)cc3)c2c1 |r|
Show InChI InChI=1S/C27H28FN3O2/c1-17-4-8-20(9-5-17)27(33)30-26-24-15-23(13-10-21(24)14-25(26)32)29-18(2)31(3)16-19-6-11-22(28)12-7-19/h4-13,15,25-26,32H,14,16H2,1-3H3,(H,30,33)/b29-18+/t25-,26-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119645
PNG
(CHEMBL3616500)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C27H25F4N3O2/c1-16(34(2)15-17-3-10-21(28)11-4-17)32-22-12-7-19-13-24(35)25(23(19)14-22)33-26(36)18-5-8-20(9-6-18)27(29,30)31/h3-12,14,24-25,35H,13,15H2,1-2H3,(H,33,36)/b32-16+/t24-,25-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119646
PNG
(CHEMBL3616501)
Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1 |r|
Show InChI InChI=1S/C32H30FN3O2/c1-21(36(2)20-22-8-15-27(33)16-9-22)34-28-17-14-26-18-30(37)31(29(26)19-28)35-32(38)25-12-10-24(11-13-25)23-6-4-3-5-7-23/h3-17,19,30-31,37H,18,20H2,1-2H3,(H,35,38)/b34-21+/t30-,31-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119647
PNG
(CHEMBL3616504)
Show SMILES CN1CCCC\C1=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C22H24BrN3O2/c1-26-11-3-2-4-20(26)24-17-10-7-15-12-19(27)21(18(15)13-17)25-22(28)14-5-8-16(23)9-6-14/h5-10,13,19,21,27H,2-4,11-12H2,1H3,(H,25,28)/b24-20+/t19-,21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 26n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
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