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PubMed code 17629699

Compile data set for download or QSAR
Found 42 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 receptor M2 and M3


(RAT)
BDBM50218053
PNG
((R)-2-cycloheptyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N2O2/c1-20(21-12-6-4-7-13-21)30-18-24-25(19-30)26(24)29-27(31)28(32,23-16-10-5-11-17-23)22-14-8-2-3-9-15-22/h4-7,10-13,16-17,20,22,24-26,32H,2-3,8-9,14-15,18-19H2,1H3,(H,29,31)/t20?,24-,25+,26+,28?
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1.80n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218045
PNG
((R)-2-cyclohexyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N2O2/c1-19(20-11-5-2-6-12-20)29-17-23-24(18-29)25(23)28-26(30)27(31,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-3,5-8,11-14,19,22-25,31H,4,9-10,15-18H2,1H3,(H,28,30)/t19?,23-,24+,25+,27?
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5.90n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218061
PNG
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES OC(C1CCCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-9-4-10-16-22)21-13-7-1-2-8-14-21)28-25-23-18-29(19-24(23)25)17-20-11-5-3-6-12-20/h3-6,9-12,15-16,21,23-25,31H,1-2,7-8,13-14,17-19H2,(H,28,30)/t23-,24+,25+,27?
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6.80n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218043
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-phenet...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,21-13-7-8-14-21)20-11-5-2-6-12-20)27-24-22-17-28(18-23(22)24)16-15-19-9-3-1-4-10-19/h1-6,9-12,21-24,30H,7-8,13-18H2,(H,27,29)/t22-,23+,24+,26?
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9.30n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218057
PNG
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)
Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27-/m0/s1
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12.3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218051
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)
Show SMILES CC(C)=CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m0/s1
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12.4n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218058
PNG
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27?
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20n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218055
PNG
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c1-18(19-10-4-2-5-11-19)28-16-22-23(17-28)24(22)27-25(29)26(30,21-14-8-9-15-21)20-12-6-3-7-13-20/h2-7,10-13,18,21-24,30H,8-9,14-17H2,1H3,(H,27,29)/t18?,22-,23+,24+,26?
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25.1n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218059
PNG
((R)-N-((1S,5R,6s)-3-(4-chlorophenethyl)-3-aza-bicy...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C26H31ClN2O2/c27-21-12-10-18(11-13-21)14-15-29-16-22-23(17-29)24(22)28-25(30)26(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22-24,31H,4-5,8-9,14-17H2,(H,28,30)/t22-,23+,24+,26?
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31.3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218052
PNG
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES OC(C1CCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-24-22-17-28(18-23(22)24)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-24,30H,3,8-9,14-18H2,(H,27,29)/t22-,23+,24+,26?
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31.7n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218046
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)
Show SMILES CC(C)=CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24?
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33n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218053
PNG
((R)-2-cycloheptyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N2O2/c1-20(21-12-6-4-7-13-21)30-18-24-25(19-30)26(24)29-27(31)28(32,23-16-10-5-11-17-23)22-14-8-2-3-9-15-22/h4-7,10-13,16-17,20,22,24-26,32H,2-3,8-9,14-15,18-19H2,1H3,(H,29,31)/t20?,24-,25+,26+,28?
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39n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218047
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(napht...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C29H32N2O2/c32-28(29(33,24-12-6-7-13-24)23-10-2-1-3-11-23)30-27-25-18-31(19-26(25)27)17-20-14-15-21-8-4-5-9-22(21)16-20/h1-5,8-11,14-16,24-27,33H,6-7,12-13,17-19H2,(H,30,32)/t25-,26+,27+,29?
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42n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218044
PNG
((R)-N-((1S,5R,6s)-3-(3,4-dimethylphenethyl)-3-aza-...)
Show SMILES Cc1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1C
Show InChI InChI=1S/C28H36N2O2/c1-19-12-13-21(16-20(19)2)14-15-30-17-24-25(18-30)26(24)29-27(31)28(32,23-10-6-7-11-23)22-8-4-3-5-9-22/h3-5,8-9,12-13,16,23-26,32H,6-7,10-11,14-15,17-18H2,1-2H3,(H,29,31)/t24-,25+,26+,28?
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43.6n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218056
PNG
(CHEMBL249204 | methyl 4-(2-((1S,5R,6s)-6-((R)-2-cy...)
Show SMILES COC(=O)c1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O4/c1-34-26(31)20-13-11-19(12-14-20)15-16-30-17-23-24(18-30)25(23)29-27(32)28(33,22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22-25,33H,5-6,9-10,15-18H2,1H3,(H,29,32)/t23-,24+,25+,28?
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43.6n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218050
PNG
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C27H34N2O2/c1-18-12-14-20(15-13-18)19(2)29-16-23-24(17-29)25(23)28-26(30)27(31,22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-15,19,22-25,31H,6-7,10-11,16-17H2,1-2H3,(H,28,30)/t19?,23-,24+,25+,27?
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58.9n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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63n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218048
PNG
((S)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)
Show SMILES CC(C)=CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m1/s1
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71n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218049
PNG
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c28-24(25(29,20-13-7-8-14-20)19-11-5-2-6-12-19)26-23-21-16-27(17-22(21)23)15-18-9-3-1-4-10-18/h1-6,9-12,20-23,29H,7-8,13-17H2,(H,26,28)/t21-,22+,23+,25?
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96n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218045
PNG
((R)-2-cyclohexyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N2O2/c1-19(20-11-5-2-6-12-20)29-17-23-24(18-29)25(23)28-26(30)27(31,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-3,5-8,11-14,19,22-25,31H,4,9-10,15-18H2,1H3,(H,28,30)/t19?,23-,24+,25+,27?
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154n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218058
PNG
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27?
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277n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218059
PNG
((R)-N-((1S,5R,6s)-3-(4-chlorophenethyl)-3-aza-bicy...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C26H31ClN2O2/c27-21-12-10-18(11-13-21)14-15-29-16-22-23(17-29)24(22)28-25(30)26(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22-24,31H,4-5,8-9,14-17H2,(H,28,30)/t22-,23+,24+,26?
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298n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218043
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-phenet...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,21-13-7-8-14-21)20-11-5-2-6-12-20)27-24-22-17-28(18-23(22)24)16-15-19-9-3-1-4-10-19/h1-6,9-12,21-24,30H,7-8,13-18H2,(H,27,29)/t22-,23+,24+,26?
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335n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218061
PNG
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES OC(C1CCCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-9-4-10-16-22)21-13-7-1-2-8-14-21)28-25-23-18-29(19-24(23)25)17-20-11-5-3-6-12-20/h3-6,9-12,15-16,21,23-25,31H,1-2,7-8,13-14,17-19H2,(H,28,30)/t23-,24+,25+,27?
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349n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218062
PNG
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C23H28N2O2S/c26-22(23(27,17-9-4-5-10-17)16-7-2-1-3-8-16)24-21-19-14-25(15-20(19)21)13-18-11-6-12-28-18/h1-3,6-8,11-12,17,19-21,27H,4-5,9-10,13-15H2,(H,24,26)/t19-,20+,21+,23?
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524n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218056
PNG
(CHEMBL249204 | methyl 4-(2-((1S,5R,6s)-6-((R)-2-cy...)
Show SMILES COC(=O)c1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O4/c1-34-26(31)20-13-11-19(12-14-20)15-16-30-17-23-24(18-30)25(23)29-27(32)28(33,22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22-25,33H,5-6,9-10,15-18H2,1H3,(H,29,32)/t23-,24+,25+,28?
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537n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218051
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)
Show SMILES CC(C)=CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m0/s1
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564n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218055
PNG
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c1-18(19-10-4-2-5-11-19)28-16-22-23(17-28)24(22)27-25(29)26(30,21-14-8-9-15-21)20-12-6-3-7-13-20/h2-7,10-13,18,21-24,30H,8-9,14-17H2,1H3,(H,27,29)/t18?,22-,23+,24+,26?
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630n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218057
PNG
((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...)
Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27-/m0/s1
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646n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50371225
PNG
(CHEMBL1162964)
Show SMILES O[C@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-7-8-16-22)21-13-5-2-6-14-21)28-25-23-18-29(19-24(23)25)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,22-25,31H,7-9,12,15-19H2,(H,28,30)/t23-,24+,25+,27-/m1/s1
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776n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218047
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(napht...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C29H32N2O2/c32-28(29(33,24-12-6-7-13-24)23-10-2-1-3-11-23)30-27-25-18-31(19-26(25)27)17-20-14-15-21-8-4-5-9-22(21)16-20/h1-5,8-11,14-16,24-27,33H,6-7,12-13,17-19H2,(H,30,32)/t25-,26+,27+,29?
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778n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218044
PNG
((R)-N-((1S,5R,6s)-3-(3,4-dimethylphenethyl)-3-aza-...)
Show SMILES Cc1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1C
Show InChI InChI=1S/C28H36N2O2/c1-19-12-13-21(16-20(19)2)14-15-30-17-24-25(18-30)26(24)29-27(31)28(32,23-10-6-7-11-23)22-8-4-3-5-9-22/h3-5,8-9,12-13,16,23-26,32H,6-7,10-11,14-15,17-18H2,1-2H3,(H,29,31)/t24-,25+,26+,28?
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812n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218052
PNG
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES OC(C1CCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-24-22-17-28(18-23(22)24)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-24,30H,3,8-9,14-18H2,(H,27,29)/t22-,23+,24+,26?
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943n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218060
PNG
(CHEMBL248616 | N-((1S,5R,6s)-3-benzyl-3-aza-bicycl...)
Show SMILES OC(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c23-19(15-9-5-2-6-10-15)20(24)21-18-16-12-22(13-17(16)18)11-14-7-3-1-4-8-14/h1-10,16-19,23H,11-13H2,(H,21,24)/t16-,17+,18+,19?
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>1.00E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218060
PNG
(CHEMBL248616 | N-((1S,5R,6s)-3-benzyl-3-aza-bicycl...)
Show SMILES OC(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c23-19(15-9-5-2-6-10-15)20(24)21-18-16-12-22(13-17(16)18)11-14-7-3-1-4-8-14/h1-10,16-19,23H,11-13H2,(H,21,24)/t16-,17+,18+,19?
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>1.00E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218048
PNG
((S)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)
Show SMILES CC(C)=CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m1/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218050
PNG
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C27H34N2O2/c1-18-12-14-20(15-13-18)19(2)29-16-23-24(17-29)25(23)28-26(30)27(31,22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-15,19,22-25,31H,6-7,10-11,16-17H2,1-2H3,(H,28,30)/t19?,23-,24+,25+,27?
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1.23E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218046
PNG
((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...)
Show SMILES CC(C)=CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24?
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1.37E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218049
PNG
((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c28-24(25(29,20-13-7-8-14-20)19-11-5-2-6-12-19)26-23-21-16-27(17-22(21)23)15-18-9-3-1-4-10-18/h1-6,9-12,20-23,29H,7-8,13-17H2,(H,26,28)/t21-,22+,23+,25?
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1.42E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50371225
PNG
(CHEMBL1162964)
Show SMILES O[C@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-7-8-16-22)21-13-5-2-6-14-21)28-25-23-18-29(19-24(23)25)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,22-25,31H,7-9,12,15-19H2,(H,28,30)/t23-,24+,25+,27-/m1/s1
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2.63E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50218062
PNG
((R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...)
Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C23H28N2O2S/c26-22(23(27,17-9-4-5-10-17)16-7-2-1-3-8-16)24-21-19-14-25(15-20(19)21)13-18-11-6-12-28-18/h1-3,6-8,11-12,17,19-21,27H,4-5,9-10,13-15H2,(H,24,26)/t19-,20+,21+,23?
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3.98E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart


Bioorg Med Chem Lett 17: 5256-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.081
BindingDB Entry DOI: 10.7270/Q27D2W0F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%