Compile Data Set for Download or QSAR

Found 1245 hits of ec50 data for polymerid = 49000374,49000376,49000377,49000380,49000381,49000382,49000383   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50323691 (3-amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.000339	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50323693 (3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h3-8H,9,18H2,1-2H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.000693	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48045 (3-amino-N-(2-fluorobenzyl)-4,6-dimethyl-thieno[2,3...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.000873	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48056 (3-amino-N-(2,3-difluorobenzyl)-4,6-dimethyl-thieno...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F Show InChI InChI=1S/C17H15F2N3OS/c1-8-6-9(2)22-17-12(8)14(20)15(24-17)16(23)21-7-10-4-3-5-11(18)13(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.000973	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48054 (3-amino-N-(2,5-difluorobenzyl)-4,6-dimethyl-thieno...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-6-11(18)3-4-12(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00100	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48055 (3-amino-N-(3,4-difluorobenzyl)-4,6-dimethyl-thieno...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)c(F)c1 Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-3-4-11(18)12(19)6-10/h3-6H,7,20H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00127	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48046 (3-amino-N-(2-chlorobenzyl)-4,6-dimethyl-thieno[2,3...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00234	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48051 (3-amino-4,6-dimethyl-N-(4-methylbenzyl)thieno[2,3-...) Show SMILES Cc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 Show InChI InChI=1S/C18H19N3OS/c1-10-4-6-13(7-5-10)9-20-17(22)16-15(19)14-11(2)8-12(3)21-18(14)23-16/h4-8H,9,19H2,1-3H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00242	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50323690 (3-amino-4,6-dimethyl-N-(4-(trifluoromethyl)benzyl)...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3OS/c1-9-7-10(2)24-17-13(9)14(22)15(26-17)16(25)23-8-11-3-5-12(6-4-11)18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00242	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48049 (3-amino-4,6-dimethyl-N-(4-pyridylmethyl)thieno[2,3...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccncc1 Show InChI InChI=1S/C16H16N4OS/c1-9-7-10(2)20-16-12(9)13(17)14(22-16)15(21)19-8-11-3-5-18-6-4-11/h3-7H,8,17H2,1-2H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00282	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48053 (3-amino-4,6-dimethyl-N-[4-(trifluoromethoxy)benzyl...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O2S/c1-9-7-10(2)24-17-13(9)14(22)15(27-17)16(25)23-8-11-3-5-12(6-4-11)26-18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00506	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48052 (3-amino-N-(4-bromobenzyl)-4,6-dimethyl-thieno[2,3-...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C17H16BrN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00516	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48050 (3-amino-4,6-dimethyl-N-(3-pyridinylmethyl)-2-thien...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C16H16N4OS/c1-9-6-10(2)20-16-12(9)13(17)14(22-16)15(21)19-8-11-4-3-5-18-7-11/h3-7H,8,17H2,1-2H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00559	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48047 (3-amino-N-(3-chlorobenzyl)-4,6-dimethyl-thieno[2,3...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C17H16ClN3OS/c1-9-6-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-4-3-5-12(18)7-11/h3-7H,8,19H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.00903	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48048 (3-amino-4,6-dimethyl-N-(3-methylbenzyl)thieno[2,3-...) Show SMILES Cc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 Show InChI InChI=1S/C18H19N3OS/c1-10-5-4-6-13(7-10)9-20-17(22)16-15(19)14-11(2)8-12(3)21-18(14)23-16/h4-8H,9,19H2,1-3H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.0102	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2251GKR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50107702 (1,10-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:32| Show InChI InChI=1S/C26H40N6S4/c1-31-15-11-13-21(19-31)23-25(29-35-27-23)33-17-9-7-5-3-4-6-8-10-18-34-26-24(28-36-30-26)22-14-12-16-32(2)20-22/h13-14H,3-12,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50107710 (1,12-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:34| Show InChI InChI=1S/C28H44N6S4/c1-33-17-13-15-23(21-33)25-27(31-37-29-25)35-19-11-9-7-5-3-4-6-8-10-12-20-36-28-26(30-38-32-28)24-16-14-18-34(2)22-24/h15-16H,3-14,17-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50107715 (1,12-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:34| Show InChI InChI=1S/C28H44N6O2S2/c1-33-17-13-15-23(21-33)25-27(31-37-29-25)35-19-11-9-7-5-3-4-6-8-10-12-20-36-28-26(30-38-32-28)24-16-14-18-34(2)22-24/h15-16H,3-14,17-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM280428 (US10030012, Example 58 | ethyl 4-[4-(5- chloro-2- ...) Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(Cl)cnc1OC Show InChI InChI=1S/C20H30ClN3O3/c1-3-27-20(25)24-9-4-5-17(8-12-24)23-10-6-15(7-11-23)18-13-16(21)14-22-19(18)26-2/h13-15,17H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...				US Patent US10030012 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DTW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50502361 (CHEMBL4583597) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@@H]2c1nccn1-c1ccccc1)C1CC2(C1)CCN(C2)C(=O)OCC |r,wU:7.9,wD:5.6,1.0,(35.13,-24.49,;36.66,-24.63,;36.14,-26.08,;37.36,-27.02,;38.63,-26.15,;38.19,-24.66,;39.73,-24.57,;37.46,-23.32,;37.49,-21.78,;38.75,-20.91,;38.31,-19.43,;36.77,-19.4,;36.26,-20.85,;34.79,-21.3,;33.66,-20.24,;32.19,-20.68,;31.84,-22.18,;32.97,-23.24,;34.44,-22.79,;37.32,-28.56,;36.19,-29.61,;37.24,-30.73,;38.37,-29.67,;38.37,-31.77,;37.74,-33.18,;36.21,-33.01,;35.9,-31.5,;35.17,-34.14,;35.64,-35.61,;33.67,-33.81,;32.63,-34.96,;31.13,-34.63,)| Show InChI InChI=1S/C24H30N4O2/c1-2-30-23(29)26-10-8-24(16-26)12-18(13-24)27-14-19-20(15-27)21(19)22-25-9-11-28(22)17-6-4-3-5-7-17/h3-7,9,11,18-21H,2,8,10,12-16H2,1H3/t18?,19-,20+,21-,24?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50107709 (1,11-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:33| Show InChI InChI=1S/C27H42N6S4/c1-32-16-12-14-22(20-32)24-26(30-36-28-24)34-18-10-8-6-4-3-5-7-9-11-19-35-27-25(29-37-31-27)23-15-13-17-33(2)21-23/h14-15H,3-13,16-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50107697 (1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:33| Show InChI InChI=1S/C24H36N6O5S2/c1-29-7-3-5-19(17-29)21-23(27-36-25-21)34-15-13-32-11-9-31-10-12-33-14-16-35-24-22(26-37-28-24)20-6-4-8-30(2)18-20/h5-6H,3-4,7-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	5.20	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.				J Med Chem 44: 4563-76 (2001) BindingDB Entry DOI: 10.7270/Q2765DN7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50061705 ((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...) Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)| Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50003359 (5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...) Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assess...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50003359 (5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...) Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50502369 (CHEMBL4515088) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@@H]2c1nccn1-c1ccccc1)C1CC2(C1)CCN(C2)c1cnccn1 |r,wU:7.9,wD:5.6,1.0,(54.59,-22.58,;56.12,-22.72,;55.6,-24.17,;56.83,-25.11,;58.1,-24.24,;57.66,-22.75,;59.2,-22.66,;56.92,-21.41,;56.96,-19.87,;58.21,-18.99,;57.77,-17.52,;56.23,-17.48,;55.72,-18.94,;54.25,-19.39,;53.13,-18.33,;51.65,-18.77,;51.3,-20.27,;52.44,-21.33,;53.91,-20.88,;56.78,-26.66,;55.65,-27.7,;56.7,-28.83,;57.83,-27.76,;57.84,-29.87,;57.21,-31.27,;55.67,-31.1,;55.36,-29.59,;54.65,-32.24,;55.11,-33.69,;54.09,-34.83,;52.58,-34.5,;52.11,-33.04,;53.15,-31.91,)| Show InChI InChI=1S/C25H28N6/c1-2-4-18(5-3-1)31-11-9-28-24(31)23-20-15-30(16-21(20)23)19-12-25(13-19)6-10-29(17-25)22-14-26-7-8-27-22/h1-5,7-9,11,14,19-21,23H,6,10,12-13,15-17H2/t19?,20-,21+,23-,25?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50253109 (CHEMBL4066508) Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncc3Cl)c(N)c2c1C Show InChI InChI=1S/C17H17ClN6OS/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(25)21-10-6-24(7-10)12-3-4-20-5-11(12)18/h3-5,10H,6-7,19H2,1-2H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...				Bioorg Med Chem Lett 27: 2990-2995 (2017) Article DOI: 10.1016/j.bmcl.2017.05.014 BindingDB Entry DOI: 10.7270/Q2MS3W6Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50521763 (CHEMBL4579086) Show SMILES Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1Cc2ccccc2C1 Show InChI InChI=1S/C20H18ClN5OS/c1-9-14-16(22)17(28-20(14)26-10(2)24-25-18(26)15(9)21)19(27)23-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-8,22H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...				Bioorg Med Chem Lett 29: 2224-2228 (2019) Article DOI: 10.1016/j.bmcl.2019.06.032 BindingDB Entry DOI: 10.7270/Q2X351VJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50253109 (CHEMBL4066508) Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncc3Cl)c(N)c2c1C Show InChI InChI=1S/C17H17ClN6OS/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(25)21-10-6-24(7-10)12-3-4-20-5-11(12)18/h3-5,10H,6-7,19H2,1-2H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.10	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...				Bioorg Med Chem Lett 27: 2990-2995 (2017) Article DOI: 10.1016/j.bmcl.2017.05.014 BindingDB Entry DOI: 10.7270/Q2MS3W6Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50502348 (CHEMBL4543638) Show SMILES CCOC(=O)N1CCC2(CC(C2)N2CCC(CC2)c2ncccc2OC)C1 Show InChI InChI=1S/C21H31N3O3/c1-3-27-20(25)24-12-8-21(15-24)13-17(14-21)23-10-6-16(7-11-23)19-18(26-2)5-4-9-22-19/h4-5,9,16-17H,3,6-8,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assess...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50263888 (CHEMBL491209 | Ethyl 4-(2-oxo-2,3-dihydro-1Hbenzo[...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H28N4O3/c1-2-27-20(26)23-13-7-15(8-14-23)22-11-9-16(10-12-22)24-18-6-4-3-5-17(18)21-19(24)25/h3-6,15-16H,2,7-14H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Agonist activity at muscarinic M4 receptor (unknown origin)				Bioorg Med Chem Lett 18: 5439-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.023 BindingDB Entry DOI: 10.7270/Q2708198
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50275588 (2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...) Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Agonist activity at muscarinic M4 receptor (unknown origin)				Bioorg Med Chem Lett 18: 5443-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.032 BindingDB Entry DOI: 10.7270/Q29K4B1C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50546043 (CHEMBL4783881) Show SMILES Cc1c(Cl)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA					Assay Description Positive allosteric modulation of human M4 receptor/Gqi5 in presence of EC20 glutamate by calcium mobilization assay				Citation and Details Article DOI: 10.1016/j.bmcl.2019.05.026 BindingDB Entry DOI: 10.7270/Q2JM2F6M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50546051 (CHEMBL4798497) Show SMILES COc1cc(N2CC(C2)NC(=O)c2sc3nnc(Cl)c(C)c3c2N)c(Cl)cn1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA					Assay Description Positive allosteric modulation of human M4 receptor/Gqi5 in presence of EC20 glutamate by calcium mobilization assay				Citation and Details Article DOI: 10.1016/j.bmcl.2019.05.026 BindingDB Entry DOI: 10.7270/Q2JM2F6M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at muscarinic human M4 receptor expressed in BHK-21 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM280422 (US10030012, Example 52 | ethyl 4-{4-[2- (difluoro-...) Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(F)F Show InChI InChI=1S/C20H29F2N3O3/c1-2-27-20(26)25-11-4-5-16(9-14-25)24-12-7-15(8-13-24)17-6-3-10-23-18(17)28-19(21)22/h3,6,10,15-16,19H,2,4-5,7-9,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...				US Patent US10030012 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DTW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM280408 (US10030012, Example 38 | ethyl 4-[4-(3- methoxypyr...) Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)19-18(25-2)7-4-11-21-19/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50253108 (CHEMBL4088704) Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cc(F)nc(F)c3)c(N)c2c1C Show InChI InChI=1S/C17H16F2N6OS/c1-7-8(2)23-24-17-13(7)14(20)15(27-17)16(26)21-9-5-25(6-9)10-3-11(18)22-12(19)4-10/h3-4,9H,5-6,20H2,1-2H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...				Bioorg Med Chem Lett 27: 2990-2995 (2017) Article DOI: 10.1016/j.bmcl.2017.05.014 BindingDB Entry DOI: 10.7270/Q2MS3W6Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50207523 (CHEMBL3982695) Show SMILES CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 Show InChI InChI=1S/C17H18N4OS2/c1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11/h4-7H,8,18H2,1-3H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqui5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 171-175 (2017) Article DOI: 10.1016/j.bmcl.2016.11.086 BindingDB Entry DOI: 10.7270/Q2WM1GC0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50207523 (CHEMBL3982695) Show SMILES CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 Show InChI InChI=1S/C17H18N4OS2/c1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11/h4-7H,8,18H2,1-3H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqui5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 171-175 (2017) Article DOI: 10.1016/j.bmcl.2016.11.086 BindingDB Entry DOI: 10.7270/Q2WM1GC0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50253108 (CHEMBL4088704) Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cc(F)nc(F)c3)c(N)c2c1C Show InChI InChI=1S/C17H16F2N6OS/c1-7-8(2)23-24-17-13(7)14(20)15(27-17)16(26)21-9-5-25(6-9)10-3-11(18)22-12(19)4-10/h3-4,9H,5-6,20H2,1-2H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...				Bioorg Med Chem Lett 27: 2990-2995 (2017) Article DOI: 10.1016/j.bmcl.2017.05.014 BindingDB Entry DOI: 10.7270/Q2MS3W6Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50249403 (CHEMBL4091821) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C Show InChI InChI=1S/C21H18FN5OS/c1-11-12(2)26-27-21-16(11)17(23)18(29-21)20(28)25-10-13-5-7-14(8-6-13)15-4-3-9-24-19(15)22/h3-9H,10,23H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11.7	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat M4 receptor assessed as increase in acetylcholine-induced calcium mobilization				Bioorg Med Chem Lett 27: 2296-2301 (2017) Article DOI: 10.1016/j.bmcl.2017.04.043 BindingDB Entry DOI: 10.7270/Q23B62J8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50249403 (CHEMBL4091821) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C Show InChI InChI=1S/C21H18FN5OS/c1-11-12(2)26-27-21-16(11)17(23)18(29-21)20(28)25-10-13-5-7-14(8-6-13)15-4-3-9-24-19(15)22/h3-9H,10,23H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat M4 receptor assessed as increase in acetylcholine-induced calcium mobilization				Bioorg Med Chem Lett 27: 2296-2301 (2017) Article DOI: 10.1016/j.bmcl.2017.04.043 BindingDB Entry DOI: 10.7270/Q23B62J8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50521766 (CHEMBL4459622) Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12 Show InChI InChI=1S/C19H16F2N6OS/c1-9-4-14-25-23-8-27(14)19-15(9)16(22)17(29-19)18(28)24-10-6-26(7-10)11-2-3-12(20)13(21)5-11/h2-5,8,10H,6-7,22H2,1H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...				Bioorg Med Chem Lett 29: 2224-2228 (2019) Article DOI: 10.1016/j.bmcl.2019.06.032 BindingDB Entry DOI: 10.7270/Q2X351VJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50521784 (CHEMBL4475459) Show SMILES Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 Show InChI InChI=1S/C19H16ClN5OS/c1-9-13-15(21)16(27-19(13)25-8-22-24-17(25)14(9)20)18(26)23-12-6-10-4-2-3-5-11(10)7-12/h2-5,8,12H,6-7,21H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...				Bioorg Med Chem Lett 29: 2224-2228 (2019) Article DOI: 10.1016/j.bmcl.2019.06.032 BindingDB Entry DOI: 10.7270/Q2X351VJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50416732 (CHEMBL1223754) Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O |r,wD:4.3,7.7,(20.55,1.43,;19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)| Show InChI InChI=1S/C23H34FN3O2/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-21-14-16(2)19(24)15-20(21)25-22(27)28/h14-15,17-18H,4-13H2,1-3H3,(H,25,28)/t18-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...				Bioorg Med Chem Lett 20: 5434-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.097 BindingDB Entry DOI: 10.7270/Q2MG7QR7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50019336 (CHEMBL3289442) Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,4,7-10,12-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 2909-12 (2014) Article DOI: 10.1016/j.bmcl.2014.04.083 BindingDB Entry DOI: 10.7270/Q2BG2QKM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50458998 (CHEMBL4202966) Show SMILES Cc1cc2C(=O)NCc2nc1N1CCC(CC1)Oc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H21N5O2/c1-12-8-16-18(11-21-20(16)26)23-19(12)25-6-4-14(5-7-25)27-15-2-3-17-13(9-15)10-22-24-17/h2-3,8-10,14H,4-7,11H2,1H3,(H,21,26)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...				ACS Med Chem Lett 9: 783-784 (2018) Article DOI: 10.1021/acsmedchemlett.8b00330 BindingDB Entry DOI: 10.7270/Q2C53PGF
					More data for this Ligand-Target Pair

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