Compile Data Set for Download or QSAR
Found 1600 Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M5'
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50296345((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
Affinity DataKi:  0.0266nMAssay Description:Displacement of [3H]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM81768(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)
Affinity DataKi:  0.0430nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM81768(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)
Affinity DataKi:  0.0650nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50355622(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)
Affinity DataKi:  0.169nMAssay Description:Displacement of [3H]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50241132(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
Affinity DataKi:  0.209nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50241132(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
Affinity DataKi:  0.209nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  0.210nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50403547(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](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/t13-,14+,15+,16?
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]QNB from muscarinic acetylcholine M5 receptor after 1.5 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50176065(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
Affinity DataKi:  0.480nMAssay Description:Displacement of [3H]4-DAMP from human recombinant M5 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86292(2-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]isoxazo...)
Show SMILES Cc1nccn1CC#CCN1OCCC1=O
Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-8-13(10)6-2-3-7-14-11(15)4-9-16-14/h5,8H,4,6-7,9H2,1H3
Affinity DataKi:  0.510nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  0.540nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  0.600nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50240552(CHEMBL195)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(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/t13-,14-,16?/m1/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry methodMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50540490(CHEMBL4645580)
Show SMILES [I-].C[N+](C)(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H32NO2.HI/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;/h4,6-7,10-11,18-19H,5,8-9,12-16H2,1-3H3;1H/q+1;/p-1/t19-,20+;/m0./s1
Affinity DataKi:  0.661nMAssay Description:Displacement of [3H]NMS from human recombinant muscarinic receptor M5 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation countin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M5(RAT)
DVanderbilt Program in Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50403547(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](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/t13-,14+,15+,16?
Affinity DataKi:  0.860nMAssay Description:Displacement of [3H]NMS from rat recombinant muscarinic M5 receptor expressed in CHO cells after 2 hrs by microplate scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50403547(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](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/t13-,14+,15+,16?
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-4-DAMP from human muscarinic M5 receptor expressed in BHK-21 cellsMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50355610(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
Affinity DataKi:  1.04nMAssay Description:Displacement of [3H]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50176065(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
Affinity DataKi:  1.05nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50241132(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
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50128835(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
Affinity DataKi:  1.10nMAssay Description:Antagonist activity at muscarinic M5 receptor (unknown origin)More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50452855(Isoptpo Hyoscine | Scopolamine)
Show SMILES CN1[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/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/t11-,12-,13-,14+,15+,16+/m1/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50540493(CHEMBL4635500)
Show SMILES CN(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H29NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t18-,19+/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]NMS from human recombinant muscarinic receptor M5 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation countin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50403547(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](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/t13-,14+,15+,16?
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]NMS from human muscarinic acetylcholine receptor subtype 5 expressed in CHO cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50415153(CHEMBL569307)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1/t20-,23+/m1/s1
Affinity DataKi:  1.55nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86231(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
Affinity DataKi:  1.70nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM82372(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
Affinity DataKi:  1.70nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50385679(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
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50092313(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
Affinity DataKi:  1.70nMAssay Description:The compound was tested for the binding affinity against Muscarinic acetylcholine receptor M5More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50518557(CHEMBL4519301)
Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1
Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50385677(CHEMBL2042553)
Show SMILES CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(RAT)
DVanderbilt Program in Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50403547(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](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/t13-,14+,15+,16?
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]NMS from rat muscarinic M5 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50385677(CHEMBL2042553)
Show SMILES CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
Affinity DataKi:  1.82nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM81961(CAS_124393-85-7 | SHX | silahexocyclium)
Show SMILES C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
Show InChI InChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50015720((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
Affinity DataKi:  2.07nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50165008((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(RAT)
DVanderbilt Program in Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50165008((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50109647(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
Affinity DataKi:  2.30nMAssay Description:Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50030223(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
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50109647(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
Affinity DataKi:  2.30nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50540491(CHEMBL4649224)
Show SMILES CN(C)CC1COCC(O1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H29NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]NMS from human recombinant muscarinic receptor M5 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation countin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM86698(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
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50497835(ENDO-ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](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/t13-,14+,15?,16-/m1/s1
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50030224(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
Affinity DataKi:  3nMAssay Description:Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50412182(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
Affinity DataKi:  3.02nMAssay Description:Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50415145(CHEMBL571121)
Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1
Affinity DataKi:  3.31nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM81959(CAS_115-63-9 | Hexocyclium)
Show SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
Affinity DataKi:  3.70nMMore data for this Ligand-Target Pair
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