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PubMed code 27185330

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174739
PNG
(CHEMBL3808906)
Show SMILES CCCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
Show InChI InChI=1S/C23H31N5S/c1-5-6-11-28(20-8-7-16(2)24-14-20)19-9-12-27(13-10-19)22-21-17(3)18(4)29-23(21)26-15-25-22/h7-8,14-15,19H,5-6,9-13H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174738
PNG
(CHEMBL3808947)
Show SMILES CCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
Show InChI InChI=1S/C22H29N5S/c1-5-10-27(19-7-6-15(2)23-13-19)18-8-11-26(12-9-18)21-20-16(3)17(4)28-22(20)25-14-24-21/h6-7,13-14,18H,5,8-12H2,1-4H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174731
PNG
(CHEMBL3809096)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1C
Show InChI InChI=1S/C19H22N4OS/c1-12-4-5-16(10-20-12)24-15-6-8-23(9-7-15)18-17-13(2)14(3)25-19(17)22-11-21-18/h4-5,10-11,15H,6-9H2,1-3H3
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n/an/an/an/a 600n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174742
PNG
(CHEMBL3810071)
Show SMILES Cc1ccn2nc(C)nc(N3CCC(CC3)Oc3ccc(C)nc3)c12
Show InChI InChI=1S/C19H23N5O/c1-13-6-11-24-18(13)19(21-15(3)22-24)23-9-7-16(8-10-23)25-17-5-4-14(2)20-12-17/h4-6,11-12,16H,7-10H2,1-3H3
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174740
PNG
(CHEMBL3810215)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(N)=O)c2c1C
Show InChI InChI=1S/C14H18N4OS/c1-8-9(2)20-14-11(8)13(16-7-17-14)18-5-3-10(4-6-18)12(15)19/h7,10H,3-6H2,1-2H3,(H2,15,19)
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174723
PNG
(CHEMBL1314270)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3cc(Cl)ccc3Cl)c2c1C
Show InChI InChI=1S/C20H20Cl2N4OS/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-9-14(21)3-4-15(16)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174730
PNG
(CHEMBL3808442)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3cnc(C)nc3)c2c1C
Show InChI InChI=1S/C18H21N5OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-6-4-14(5-7-23)24-15-8-19-13(3)20-9-15/h8-10,14H,4-7H2,1-3H3
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n/an/an/an/a 4.37E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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n/an/an/an/a 575n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174742
PNG
(CHEMBL3810071)
Show SMILES Cc1ccn2nc(C)nc(N3CCC(CC3)Oc3ccc(C)nc3)c12
Show InChI InChI=1S/C19H23N5O/c1-13-6-11-24-18(13)19(21-15(3)22-24)23-9-7-16(8-10-23)25-17-5-4-14(2)20-12-17/h4-6,11-12,16H,7-10H2,1-3H3
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n/an/an/an/a 1.05E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174586
PNG
(CHEMBL3808920)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C(N)=O)c2c1C
Show InChI InChI=1S/C21H23N5O2S/c1-12-13(2)29-21-17(12)19(23-11-24-21)26-9-7-15(8-10-26)20(28)25-16-5-3-14(4-6-16)18(22)27/h3-6,11,15H,7-10H2,1-2H3,(H2,22,27)(H,25,28)
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n/an/an/an/a 390n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174588
PNG
(CHEMBL3808592)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(C)(=O)=O)c2c1C
Show InChI InChI=1S/C21H24N4O3S2/c1-13-14(2)29-21-18(13)19(22-12-23-21)25-10-8-15(9-11-25)20(26)24-16-4-6-17(7-5-16)30(3,27)28/h4-7,12,15H,8-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 850n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174740
PNG
(CHEMBL3810215)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(N)=O)c2c1C
Show InChI InChI=1S/C14H18N4OS/c1-8-9(2)20-14-11(8)13(16-7-17-14)18-5-3-10(4-6-18)12(15)19/h7,10H,3-6H2,1-2H3,(H2,15,19)
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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n/an/an/an/a 410n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174586
PNG
(CHEMBL3808920)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C(N)=O)c2c1C
Show InChI InChI=1S/C21H23N5O2S/c1-12-13(2)29-21-17(12)19(23-11-24-21)26-9-7-15(8-10-26)20(28)25-16-5-3-14(4-6-16)18(22)27/h3-6,11,15H,7-10H2,1-2H3,(H2,22,27)(H,25,28)
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n/an/an/an/a 389n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174734
PNG
(CHEMBL3810300)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc4OCCc4c3)c2c1C
Show InChI InChI=1S/C21H23N3O2S/c1-13-14(2)27-21-19(13)20(22-12-23-21)24-8-5-16(6-9-24)26-17-3-4-18-15(11-17)7-10-25-18/h3-4,11-12,16H,5-10H2,1-2H3
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n/an/an/an/a 2.29E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174732
PNG
(CHEMBL3809693)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(F)nc3)c2c1C
Show InChI InChI=1S/C18H19FN4OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-7-5-13(6-8-23)24-14-3-4-15(19)20-9-14/h3-4,9-10,13H,5-8H2,1-2H3
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174733
PNG
(CHEMBL3810183)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(Cl)nc3)c2c1C
Show InChI InChI=1S/C18H19ClN4OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-7-5-13(6-8-23)24-14-3-4-15(19)20-9-14/h3-4,9-10,13H,5-8H2,1-2H3
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n/an/an/an/a 4.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174735
PNG
(CHEMBL3809292)
Show SMILES Cc1ccc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1
Show InChI InChI=1S/C20H22N4O/c1-14-3-6-19-18(11-14)20(23-13-22-19)24-9-7-16(8-10-24)25-17-5-4-15(2)21-12-17/h3-6,11-13,16H,7-10H2,1-2H3
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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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
Positive allosteric modulation of human M3


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174732
PNG
(CHEMBL3809693)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(F)nc3)c2c1C
Show InChI InChI=1S/C18H19FN4OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-7-5-13(6-8-23)24-14-3-4-15(19)20-9-14/h3-4,9-10,13H,5-8H2,1-2H3
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n/an/an/an/a 1.74E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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n/an/an/an/a 950n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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n/an/an/an/a 160n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174587
PNG
(CHEMBL1455259)
Show SMILES CNC(=O)c1ccc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C22H25N5O2S/c1-13-14(2)30-22-18(13)19(24-12-25-22)27-10-8-16(9-11-27)21(29)26-17-6-4-15(5-7-17)20(28)23-3/h4-7,12,16H,8-11H2,1-3H3,(H,23,28)(H,26,29)
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n/an/an/an/a 570n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174724
PNG
(CHEMBL3809603)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC3)c2c1C
Show InChI InChI=1S/C18H24N4OS/c1-12-13(2)24-17-15(12)16(19-11-20-17)21-9-5-14(6-10-21)18(23)22-7-3-4-8-22/h11,14H,3-10H2,1-2H3
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174726
PNG
(CHEMBL3808696)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC(F)(F)C3)c2c1C
Show InChI InChI=1S/C19H24F2N4OS/c1-12-13(2)27-17-15(12)16(22-11-23-17)24-8-4-14(5-9-24)18(26)25-7-3-6-19(20,21)10-25/h11,14H,3-10H2,1-2H3
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174728
PNG
(CHEMBL3809482)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCSCC3)c2c1C
Show InChI InChI=1S/C18H24N4OS2/c1-12-13(2)25-17-15(12)16(19-11-20-17)21-5-3-14(4-6-21)18(23)22-7-9-24-10-8-22/h11,14H,3-10H2,1-2H3
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n/an/an/an/a 820n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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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
Positive allosteric modulation of human M1 receptor expressed in CHOK1 cells by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174729
PNG
(CHEMBL3809378)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCc4cc(ccc34)S(C)(=O)=O)c2c1C
Show InChI InChI=1S/C24H28N4O3S2/c1-15-16(2)32-23-21(15)22(25-14-26-23)27-11-8-17(9-12-27)24(29)28-10-4-5-18-13-19(33(3,30)31)6-7-20(18)28/h6-7,13-14,17H,4-5,8-12H2,1-3H3
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n/an/an/an/a 955n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174589
PNG
(CHEMBL3808847)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)N3CCNC3=O)c2c1C
Show InChI InChI=1S/C23H26N6O2S/c1-14-15(2)32-22-19(14)20(25-13-26-22)28-10-7-16(8-11-28)21(30)27-17-3-5-18(6-4-17)29-12-9-24-23(29)31/h3-6,13,16H,7-12H2,1-2H3,(H,24,31)(H,27,30)
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n/an/an/an/a 6.20E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174727
PNG
(CHEMBL3808425)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCOCC3)c2c1C
Show InChI InChI=1S/C18H24N4O2S/c1-12-13(2)25-17-15(12)16(19-11-20-17)21-5-3-14(4-6-21)18(23)22-7-9-24-10-8-22/h11,14H,3-10H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174730
PNG
(CHEMBL3808442)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3cnc(C)nc3)c2c1C
Show InChI InChI=1S/C18H21N5OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-6-4-14(5-7-23)24-15-8-19-13(3)20-9-15/h8-10,14H,4-7H2,1-3H3
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n/an/an/an/a 4.40E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174734
PNG
(CHEMBL3810300)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc4OCCc4c3)c2c1C
Show InChI InChI=1S/C21H23N3O2S/c1-13-14(2)27-21-19(13)20(22-12-23-21)24-8-5-16(6-9-24)26-17-3-4-18-15(11-17)7-10-25-18/h3-4,11-12,16H,5-10H2,1-2H3
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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n/an/an/an/a 600n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174741
PNG
(CHEMBL3809076)
Show SMILES Cc1ccc(OC2CCN(CC2)c2cc(C)nc3ccc(F)cc23)cn1
Show InChI InChI=1S/C21H22FN3O/c1-14-3-5-18(13-23-14)26-17-7-9-25(10-8-17)21-11-15(2)24-20-6-4-16(22)12-19(20)21/h3-6,11-13,17H,7-10H2,1-2H3
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n/an/an/an/a 690n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174589
PNG
(CHEMBL3808847)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)N3CCNC3=O)c2c1C
Show InChI InChI=1S/C23H26N6O2S/c1-14-15(2)32-22-19(14)20(25-13-26-22)28-10-7-16(8-11-28)21(30)27-17-3-5-18(6-4-17)29-12-9-24-23(29)31/h3-6,13,16H,7-12H2,1-2H3,(H,24,31)(H,27,30)
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n/an/an/an/a 6.17E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174590
PNG
(CHEMBL1603219)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(F)cc3Cl)c2c1C
Show InChI InChI=1S/C20H20ClFN4OS/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-4-3-14(22)9-15(16)21/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)
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n/an/an/an/a 1.59E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174728
PNG
(CHEMBL3809482)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCSCC3)c2c1C
Show InChI InChI=1S/C18H24N4OS2/c1-12-13(2)25-17-15(12)16(19-11-20-17)21-5-3-14(4-6-21)18(23)22-7-9-24-10-8-22/h11,14H,3-10H2,1-2H3
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n/an/an/an/a 813n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174731
PNG
(CHEMBL3809096)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1C
Show InChI InChI=1S/C19H22N4OS/c1-12-4-5-16(10-20-12)24-15-6-8-23(9-7-15)18-17-13(2)14(3)25-19(17)22-11-21-18/h4-5,10-11,15H,6-9H2,1-3H3
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n/an/an/an/a 603n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174737
PNG
(CHEMBL1357034)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C20H23N5O3S2/c1-12-13(2)29-20-17(12)18(22-11-23-20)25-9-7-14(8-10-25)19(26)24-15-3-5-16(6-4-15)30(21,27)28/h3-6,11,14H,7-10H2,1-2H3,(H,24,26)(H2,21,27,28)
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174723
PNG
(CHEMBL1314270)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3cc(Cl)ccc3Cl)c2c1C
Show InChI InChI=1S/C20H20Cl2N4OS/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-9-14(21)3-4-15(16)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174724
PNG
(CHEMBL3809603)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC3)c2c1C
Show InChI InChI=1S/C18H24N4OS/c1-12-13(2)24-17-15(12)16(19-11-20-17)21-9-5-14(6-10-21)18(23)22-7-3-4-8-22/h11,14H,3-10H2,1-2H3
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n/an/an/an/a 1.15E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174741
PNG
(CHEMBL3809076)
Show SMILES Cc1ccc(OC2CCN(CC2)c2cc(C)nc3ccc(F)cc23)cn1
Show InChI InChI=1S/C21H22FN3O/c1-14-3-5-18(13-23-14)26-17-7-9-25(10-8-17)21-11-15(2)24-20-6-4-16(22)12-19(20)21/h3-6,11-13,17H,7-10H2,1-2H3
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n/an/an/an/a 692n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174585
PNG
(CHEMBL3809384)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)NCc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C21H25N5O3S2/c1-13-14(2)30-21-18(13)19(24-12-25-21)26-9-7-16(8-10-26)20(27)23-11-15-3-5-17(6-4-15)31(22,28)29/h3-6,12,16H,7-11H2,1-2H3,(H,23,27)(H2,22,28,29)
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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
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174725
PNG
(CHEMBL3808983)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CC[C@H](F)C3)c2c1C
Show InChI InChI=1S/C18H23FN4OS/c1-11-12(2)25-17-15(11)16(20-10-21-17)22-6-3-13(4-7-22)18(24)23-8-5-14(19)9-23/h10,13-14H,3-9H2,1-2H3/t14-/m0/s1
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n/an/an/an/a 970n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174729
PNG
(CHEMBL3809378)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCc4cc(ccc34)S(C)(=O)=O)c2c1C
Show InChI InChI=1S/C24H28N4O3S2/c1-15-16(2)32-23-21(15)22(25-14-26-23)27-11-8-17(9-12-27)24(29)28-10-4-5-18-13-19(33(3,30)31)6-7-20(18)28/h6-7,13-14,17H,4-5,8-12H2,1-3H3
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n/an/an/an/a 960n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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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
Positive allosteric modulation of human M5 receptor expressed in CHOK1 cells by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174585
PNG
(CHEMBL3809384)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)NCc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C21H25N5O3S2/c1-13-14(2)30-21-18(13)19(24-12-25-21)26-9-7-16(8-10-26)20(27)23-11-15-3-5-17(6-4-15)31(22,28)29/h3-6,12,16H,7-11H2,1-2H3,(H,23,27)(H2,22,28,29)
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n/an/an/an/a 2.34E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174588
PNG
(CHEMBL3808592)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(C)(=O)=O)c2c1C
Show InChI InChI=1S/C21H24N4O3S2/c1-13-14(2)29-21-18(13)19(22-12-23-21)25-10-8-15(9-11-25)20(26)24-16-4-6-17(7-5-16)30(3,27)28/h4-7,12,15H,8-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 851n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174726
PNG
(CHEMBL3808696)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC(F)(F)C3)c2c1C
Show InChI InChI=1S/C19H24F2N4OS/c1-12-13(2)27-17-15(12)16(22-11-23-17)24-8-4-14(5-9-24)18(26)25-7-3-6-19(20,21)10-25/h11,14H,3-10H2,1-2H3
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n/an/an/an/a 1.86E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174590
PNG
(CHEMBL1603219)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(F)cc3Cl)c2c1C
Show InChI InChI=1S/C20H20ClFN4OS/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-4-3-14(22)9-15(16)21/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174735
PNG
(CHEMBL3809292)
Show SMILES Cc1ccc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1
Show InChI InChI=1S/C20H22N4O/c1-14-3-6-19-18(11-14)20(23-13-22-19)24-9-7-16(8-10-24)25-17-5-4-15(2)21-12-17/h3-6,11-13,16H,7-10H2,1-2H3
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n/an/an/an/a 1.18E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174733
PNG
(CHEMBL3810183)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(Cl)nc3)c2c1C
Show InChI InChI=1S/C18H19ClN4OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-7-5-13(6-8-23)24-14-3-4-15(19)20-9-14/h3-4,9-10,13H,5-8H2,1-2H3
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n/an/an/an/a 4.27E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174725
PNG
(CHEMBL3808983)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CC[C@H](F)C3)c2c1C
Show InChI InChI=1S/C18H23FN4OS/c1-11-12(2)25-17-15(11)16(20-10-21-17)22-6-3-13(4-7-22)18(24)23-8-5-14(19)9-23/h10,13-14H,3-9H2,1-2H3/t14-/m0/s1
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n/an/an/an/a 977n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174587
PNG
(CHEMBL1455259)
Show SMILES CNC(=O)c1ccc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C22H25N5O2S/c1-13-14(2)30-22-18(13)19(24-12-25-22)27-10-8-16(9-11-27)21(29)26-17-6-4-15(5-7-17)20(28)23-3/h4-7,12,16H,8-11H2,1-3H3,(H,23,28)(H,26,29)
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n/an/an/an/a 575n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(HUMAN M3)
BDBM50174727
PNG
(CHEMBL3808425)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCOCC3)c2c1C
Show InChI InChI=1S/C18H24N4O2S/c1-12-13(2)25-17-15(12)16(19-11-20-17)21-5-3-14(4-6-21)18(23)22-7-9-24-10-8-22/h11,14H,3-10H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50174736
PNG
(CHEMBL3808485)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
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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
Positive allosteric modulation of human M2


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%