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Compile Data Set for Download or QSAR

Found 1132 hits Enz. Inhib. hit(s) with Target = 'CHRM4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
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0.00780n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0340n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0370n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q2F76B2C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50092313
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3
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0.0700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50451113
PNG
(CHEMBL2114068)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003)


Article DOI: 10.1016/j.pnpbp.2003.09.008
BindingDB Entry DOI: 10.7270/Q2M61HTM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50355622
PNG
(CHEMBL1910856)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1
Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)
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0.115n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM82372
PNG
(CAS_22254-24-6 | Ipratropium | NSC_3746)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
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0.130n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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0.141n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 201-7 (2010)


Article DOI: 10.1021/jm901048j
BindingDB Entry DOI: 10.7270/Q2D79CPP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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0.141n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
CHRM4


(Chick)
BDBM82372
PNG
(CAS_22254-24-6 | Ipratropium | NSC_3746)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
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0.210n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
CHRM4


(PORCINE)
BDBM50015720
PNG
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)
Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
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0.210n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)


BindingDB Entry DOI: 10.7270/Q21N7ZPP
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM50015720
PNG
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)
Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
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0.220n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003)


Article DOI: 10.1016/j.pnpbp.2003.09.008
BindingDB Entry DOI: 10.7270/Q2M61HTM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Eur J Pharmacol 390: 245-8 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1BZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50451114
PNG
(CHEMBL2115128)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50092321
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO3S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)31(28,29)26-14-10-24(30-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3
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0.330n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Banyu Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 790-7 (2001)


BindingDB Entry DOI: 10.7270/Q24T6GX9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50128835
PNG
(CHEMBL3629360)
Show SMILES O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C42H52N6O4/c49-37-17-15-35(36-16-18-39(51)45-40(36)37)38(50)27-43-23-19-30-11-13-31(14-12-30)20-24-47-25-21-32(22-26-47)28-48-29-44-41(46-48)42(52,33-7-3-1-4-8-33)34-9-5-2-6-10-34/h1,3-4,7-8,11-18,29,32,34,38,43,49-50,52H,2,5-6,9-10,19-28H2,(H,45,51)/t38-,42-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 25: 5121-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.008
BindingDB Entry DOI: 10.7270/Q2JQ12V7
More data for this
Ligand-Target Pair
CHRM4


(Chick)
BDBM81800
PNG
(CAS_57558-44-8 | NSC_42470 | Secoverine)
Show SMILES CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3
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0.360n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
CHRM4


(bovine)
BDBM50015720
PNG
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)
Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)


BindingDB Entry DOI: 10.7270/Q21N7ZPP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50355610
PNG
(CHEMBL1237108)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
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0.382n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM50151858
PNG
(4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...)
Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM81800
PNG
(CAS_57558-44-8 | NSC_42470 | Secoverine)
Show SMILES CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3
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0.490n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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0.513n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation of antagonistic affinity against muscarinic receptor (M2) in guinea pig left atria


Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
CHRM4


(bovine)
BDBM81800
PNG
(CAS_57558-44-8 | NSC_42470 | Secoverine)
Show SMILES CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3
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0.520n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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0.580n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)


BindingDB Entry DOI: 10.7270/Q21N7ZPP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM82372
PNG
(CAS_22254-24-6 | Ipratropium | NSC_3746)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
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0.660n/an/an/an/an/an/an/an/a



Banyu Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 790-7 (2001)


BindingDB Entry DOI: 10.7270/Q24T6GX9
More data for this
Ligand-Target Pair
CHRM4


(Chick)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.710n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50107696
PNG
(1,9-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C25H38N6O2S2/c1-30-14-10-12-20(18-30)22-24(28-34-26-22)32-16-8-6-4-3-5-7-9-17-33-25-23(27-35-29-25)21-13-11-15-31(2)19-21/h12-13H,3-11,14-19H2,1-2H3
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0.776n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50015720
PNG
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)
Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM81462
PNG
((R)-Trihexyphenidyl | (S)-Trihexyphenidyl | Benzhe...)
Show SMILES OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
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0.830n/an/an/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 727-33 (1991)


BindingDB Entry DOI: 10.7270/Q2VD6WZ3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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0.880n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]4-DAMP from human recombinant M4 receptor expressed in CHO cells


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM86698
PNG
(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
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0.890n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50030223
PNG
(CHEMBL3354068)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3
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0.891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
CHRM4


(Chick)
BDBM50015720
PNG
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)
Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
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0.930n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
CHRM4


(PORCINE)
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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0.970n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)


BindingDB Entry DOI: 10.7270/Q21N7ZPP
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM82379
PNG
(BTM 1042 hydrochloride | BTM1086 | CAS_87687-13-6)
Show SMILES CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)/t17-,20+/m1/s1
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1n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003)


Article DOI: 10.1016/j.pnpbp.2003.09.008
BindingDB Entry DOI: 10.7270/Q2M61HTM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Schizophr Res 37: 107-22 (1999)


BindingDB Entry DOI: 10.7270/Q23F4N5N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50426284
PNG
(CHEMBL326450)
Show SMILES CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C26H30N2O4/c1-4-6-7-20-24(26(29)31-5-2)23-19-15-28-13-12-16-14-17(30-3)8-9-18(16)25(28)32-22(19)11-10-21(23)27-20/h8-11,14,25,27H,4-7,12-13,15H2,1-3H3
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1n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M4 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM86698
PNG
(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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1.17n/an/an/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 727-33 (1991)


BindingDB Entry DOI: 10.7270/Q2VD6WZ3
More data for this
Ligand-Target Pair
CHRM4


(bovine)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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1.31n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)


BindingDB Entry DOI: 10.7270/Q21N7ZPP
More data for this
Ligand-Target Pair
CHRM4


(RABBIT)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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1.41n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50385679
PNG
(CHEMBL2042405)
Show SMILES C[N+](C)(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26NO2/c1-21(2,3)14-19-15-22-16-20(23-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3/q+1/t19-/m0/s1
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1.48n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50004665
PNG
((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
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


Article DOI: 10.1021/jm9904001
BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
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