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Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50039673   
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 M4


(Homo sapiens (Human))
BDBM50382123
PNG
(CHEMBL2024407)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16+,17-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50382123
PNG
(CHEMBL2024407)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16+,17-
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n/an/a 4.90E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M5 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50382122
PNG
(CHEMBL2022960)
Show SMILES CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
Show InChI InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50382121
PNG
(CHEMBL2022950)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-12-15-8-9-16(13-22)17(15)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50382121
PNG
(CHEMBL2022950)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-12-15-8-9-16(13-22)17(15)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50382119
PNG
(CHEMBL2022952)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H26ClN3O3/c1-2-26-19(25)23-11-14-6-7-15(12-23)17(14)21-8-9-22-18(24)13-4-3-5-16(20)10-13/h3-5,10,14-15,17,21H,2,6-9,11-12H2,1H3,(H,22,24)/t14-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50382122
PNG
(CHEMBL2022960)
Show SMILES CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
Show InChI InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M2 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50382123
PNG
(CHEMBL2024407)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16+,17-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M2 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50382123
PNG
(CHEMBL2024407)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16+,17-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382118
PNG
(CHEMBL2024331)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C23H33N3O3/c1-3-29-23(28)26-18-10-11-19(26)14-20(13-18)25-12-6-8-17(15-25)24-22(27)21-9-5-4-7-16(21)2/h4-5,7,9,17-20H,3,6,8,10-15H2,1-2H3,(H,24,27)/t17-,18?,19?,20?/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382119
PNG
(CHEMBL2022952)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H26ClN3O3/c1-2-26-19(25)23-11-14-6-7-15(12-23)17(14)21-8-9-22-18(24)13-4-3-5-16(20)10-13/h3-5,10,14-15,17,21H,2,6-9,11-12H2,1H3,(H,22,24)/t14-,15-/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382120
PNG
(CHEMBL2024408)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16-,17+
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n/an/an/an/a 970n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50382118
PNG
(CHEMBL2024331)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C23H33N3O3/c1-3-29-23(28)26-18-10-11-19(26)14-20(13-18)25-12-6-8-17(15-25)24-22(27)21-9-5-4-7-16(21)2/h4-5,7,9,17-20H,3,6,8,10-15H2,1-2H3,(H,24,27)/t17-,18?,19?,20?/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382121
PNG
(CHEMBL2022950)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-12-15-8-9-16(13-22)17(15)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382122
PNG
(CHEMBL2022960)
Show SMILES CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
Show InChI InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3
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n/an/an/an/a 41n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382118
PNG
(CHEMBL2024331)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C23H33N3O3/c1-3-29-23(28)26-18-10-11-19(26)14-20(13-18)25-12-6-8-17(15-25)24-22(27)21-9-5-4-7-16(21)2/h4-5,7,9,17-20H,3,6,8,10-15H2,1-2H3,(H,24,27)/t17-,18?,19?,20?/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382121
PNG
(CHEMBL2022950)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-12-15-8-9-16(13-22)17(15)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
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n/an/an/an/a 92n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382119
PNG
(CHEMBL2022952)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H26ClN3O3/c1-2-26-19(25)23-11-14-6-7-15(12-23)17(14)21-8-9-22-18(24)13-4-3-5-16(20)10-13/h3-5,10,14-15,17,21H,2,6-9,11-12H2,1H3,(H,22,24)/t14-,15-/m0/s1
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n/an/an/an/a 96n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382123
PNG
(CHEMBL2024407)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16+,17-
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n/an/an/an/a 110n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382124
PNG
(CHEMBL2022951)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1C |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C20H29N3O3/c1-3-26-20(25)23-12-15-8-9-16(13-23)18(15)21-10-11-22-19(24)17-7-5-4-6-14(17)2/h4-7,15-16,18,21H,3,8-13H2,1-2H3,(H,22,24)/t15-,16-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382125
PNG
(CHEMBL2022959)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccs1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C17H25N3O3S/c1-2-23-17(22)20-10-12-5-6-13(11-20)15(12)18-7-8-19-16(21)14-4-3-9-24-14/h3-4,9,12-13,15,18H,2,5-8,10-11H2,1H3,(H,19,21)/t12-,13-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382127
PNG
(CHEMBL2022953)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(OC)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C20H29N3O4/c1-3-27-20(25)23-12-15-7-8-16(13-23)18(15)21-9-10-22-19(24)14-5-4-6-17(11-14)26-2/h4-6,11,15-16,18,21H,3,7-10,12-13H2,1-2H3,(H,22,24)/t15-,16-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382128
PNG
(CHEMBL2024405)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C21H29N3O3/c1-2-27-21(26)24-17-8-9-18(24)13-19(12-17)23-11-10-16(14-23)22-20(25)15-6-4-3-5-7-15/h3-7,16-19H,2,8-14H2,1H3,(H,22,25)/t16-,17?,18?,19?/m1/s1
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n/an/an/an/a 320n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382129
PNG
(CHEMBL2024332)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C22H31N3O3/c1-2-28-22(27)25-18-10-11-19(25)14-20(13-18)24-12-6-9-17(15-24)23-21(26)16-7-4-3-5-8-16/h3-5,7-8,17-20H,2,6,9-15H2,1H3,(H,23,26)/t17-,18?,19?,20?/m1/s1
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n/an/an/an/a 350n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382130
PNG
(CHEMBL2024421)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H26ClN3O3/c1-2-26-19(25)23-16-6-7-17(23)12-15(11-16)21-8-9-22-18(24)13-4-3-5-14(20)10-13/h3-5,10,15-17,21H,2,6-9,11-12H2,1H3,(H,22,24)/t15-,16-,17+
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n/an/an/an/a 440n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382131
PNG
(CHEMBL2022942)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)N1CCCCC1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C18H32N4O3/c1-2-25-18(24)22-15-6-7-16(22)13-14(12-15)19-8-9-20-17(23)21-10-4-3-5-11-21/h14-16,19H,2-13H2,1H3,(H,20,23)/t14-,15-,16+
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n/an/an/an/a 570n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382132
PNG
(CHEMBL2022956)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)N1CCCCC1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C18H32N4O3/c1-2-25-18(24)22-12-14-6-7-15(13-22)16(14)19-8-9-20-17(23)21-10-4-3-5-11-21/h14-16,19H,2-13H2,1H3,(H,20,23)/t14-,15-/m0/s1
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n/an/an/an/a 690n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382133
PNG
(CHEMBL2024425)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccc(F)c(F)c1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H25F2N3O3/c1-2-27-19(26)24-14-4-5-15(24)11-13(10-14)22-7-8-23-18(25)12-3-6-16(20)17(21)9-12/h3,6,9,13-15,22H,2,4-5,7-8,10-11H2,1H3,(H,23,25)/t13-,14-,15+
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n/an/an/an/a 810n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382134
PNG
(CHEMBL2024424)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccc(F)cc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H26FN3O3/c1-2-26-19(25)23-16-7-8-17(23)12-15(11-16)21-9-10-22-18(24)13-3-5-14(20)6-4-13/h3-6,15-17,21H,2,7-12H2,1H3,(H,22,24)/t15-,16-,17+
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n/an/an/an/a 830n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382129
PNG
(CHEMBL2024332)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C22H31N3O3/c1-2-28-22(27)25-18-10-11-19(25)14-20(13-18)24-12-6-9-17(15-24)23-21(26)16-7-4-3-5-8-16/h3-5,7-8,17-20H,2,6,9-15H2,1H3,(H,23,26)/t17-,18?,19?,20?/m1/s1
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n/an/an/an/a 840n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a 890n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382135
PNG
(CHEMBL2022948)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cccs1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C17H25N3O3S/c1-2-23-17(22)20-13-5-6-14(20)11-12(10-13)18-7-8-19-16(21)15-4-3-9-24-15/h3-4,9,12-14,18H,2,5-8,10-11H2,1H3,(H,19,21)/t12-,13-,14+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382136
PNG
(CHEMBL2022955)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)C1CCCCC1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)22-12-15-8-9-16(13-22)17(15)20-10-11-21-18(23)14-6-4-3-5-7-14/h14-17,20H,2-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50382122
PNG
(CHEMBL2022960)
Show SMILES CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
Show InChI InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382137
PNG
(CHEMBL2024418)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C20H29N3O3/c1-3-26-20(25)23-16-8-9-17(23)13-15(12-16)21-10-11-22-19(24)18-7-5-4-6-14(18)2/h4-7,15-17,21H,3,8-13H2,1-2H3,(H,22,24)/t15-,16-,17+
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n/an/an/an/a 1.10E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382138
PNG
(CHEMBL2024403)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CC[C@@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C21H29N3O3/c1-2-27-21(26)24-17-8-9-18(24)13-19(12-17)23-11-10-16(14-23)22-20(25)15-6-4-3-5-7-15/h3-7,16-19H,2,8-14H2,1H3,(H,22,25)/t16-,17?,18?,19?/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382139
PNG
(CHEMBL2024404)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C22H31N3O3/c1-3-28-22(27)25-17-8-9-18(25)13-19(12-17)24-11-10-16(14-24)23-21(26)20-7-5-4-6-15(20)2/h4-7,16-19H,3,8-14H2,1-2H3,(H,23,26)/t16-,17?,18?,19?/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382120
PNG
(CHEMBL2024408)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16-,17+
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n/an/an/an/a 1.20E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382140
PNG
(CHEMBL2024426)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)C1CCCCC1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)22-16-8-9-17(22)13-15(12-16)20-10-11-21-18(23)14-6-4-3-5-7-14/h14-17,20H,2-13H2,1H3,(H,21,23)/t15-,16-,17+
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n/an/an/an/a 1.50E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50382118
PNG
(CHEMBL2024331)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C23H33N3O3/c1-3-29-23(28)26-18-10-11-19(26)14-20(13-18)25-12-6-8-17(15-25)24-22(27)21-9-5-4-7-16(21)2/h4-5,7,9,17-20H,3,6,8,10-15H2,1-2H3,(H,24,27)/t17-,18?,19?,20?/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382141
PNG
(CHEMBL2024423)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cc(F)cc(F)c1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H25F2N3O3/c1-2-27-19(26)24-16-3-4-17(24)11-15(10-16)22-5-6-23-18(25)12-7-13(20)9-14(21)8-12/h7-9,15-17,22H,2-6,10-11H2,1H3,(H,23,25)/t15-,16-,17+
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n/an/an/an/a 1.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382142
PNG
(CHEMBL2024410)
Show SMILES C=CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:4:6:12.11.13:8.9|
Show InChI InChI=1S/C20H27N3O3/c1-2-12-26-20(25)23-17-8-9-18(23)14-16(13-17)21-10-11-22-19(24)15-6-4-3-5-7-15/h2-7,16-18,21H,1,8-14H2,(H,22,24)/t16-,17-,18+
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n/an/an/an/a 2.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382143
PNG
(CHEMBL2022944)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)N1CCOCC1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C17H30N4O4/c1-2-25-17(23)21-14-3-4-15(21)12-13(11-14)18-5-6-19-16(22)20-7-9-24-10-8-20/h13-15,18H,2-12H2,1H3,(H,19,22)/t13-,14-,15+
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n/an/an/an/a 2.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382144
PNG
(CHEMBL2024329)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C23H33N3O3/c1-3-29-23(28)26-18-10-11-19(26)14-20(13-18)25-12-6-8-17(15-25)24-22(27)21-9-5-4-7-16(21)2/h4-5,7,9,17-20H,3,6,8,10-15H2,1-2H3,(H,24,27)/t17-,18?,19?,20?/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382145
PNG
(CHEMBL2024406)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)N1CC(C1)NC(=O)c1ccccc1 |TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C20H27N3O3/c1-2-26-20(25)23-16-8-9-17(23)11-18(10-16)22-12-15(13-22)21-19(24)14-6-4-3-5-7-14/h3-7,15-18H,2,8-13H2,1H3,(H,21,24)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382146
PNG
(CHEMBL2024419)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1Cl |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C19H26ClN3O3/c1-2-26-19(25)23-14-7-8-15(23)12-13(11-14)21-9-10-22-18(24)16-5-3-4-6-17(16)20/h3-6,13-15,21H,2,7-12H2,1H3,(H,22,24)/t13-,14-,15+
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n/an/an/an/a 2.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382147
PNG
(CHEMBL2024427)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)N1[C@@H](C)CCC[C@H]1C |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C20H36N4O3/c1-4-27-20(26)24-17-8-9-18(24)13-16(12-17)21-10-11-22-19(25)23-14(2)6-5-7-15(23)3/h14-18,21H,4-13H2,1-3H3,(H,22,25)/t14-,15+,16-,17-,18+
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n/an/an/an/a 2.50E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50382121
PNG
(CHEMBL2022950)
Show SMILES CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
Show InChI InChI=1S/C19H27N3O3/c1-2-25-19(24)22-12-15-8-9-16(13-22)17(15)20-10-11-21-18(23)14-6-4-3-5-7-14/h3-7,15-17,20H,2,8-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50382148
PNG
(CHEMBL2024422)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cccc(OC)c1 |r,TLB:3:5:11.10.12:7.8|
Show InChI InChI=1S/C20H29N3O4/c1-3-27-20(25)23-16-7-8-17(23)13-15(12-16)21-9-10-22-19(24)14-5-4-6-18(11-14)26-2/h4-6,11,15-17,21H,3,7-10,12-13H2,1-2H3,(H,22,24)/t15-,16-,17+
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n/an/an/an/a 3.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 3467-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.088
BindingDB Entry DOI: 10.7270/Q28916WQ
More data for this
Ligand-Target Pair
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