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Compile Data Set for Download or QSAR

Found 268 hits of ec50 data for polymerid = 49000386,50000212   
Target
(Institution)
LigandTarget
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 M1/M5 chimeric protein


(Homo sapiens)
BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50433574
PNG
(CHEMBL2381694)
Show SMILES FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H12F3NO4/c18-17(19,20)25-12-6-7-14-13(10-12)15(22)16(23)21(14)8-9-24-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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n/an/an/an/a 0.224n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50433574
PNG
(CHEMBL2381694)
Show SMILES FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H12F3NO4/c18-17(19,20)25-12-6-7-14-13(10-12)15(22)16(23)21(14)8-9-24-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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n/an/an/an/a 0.225n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 0.263n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 0.263n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 0.512n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM10759
PNG
(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
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n/an/an/an/a 1.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM10759
PNG
(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
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n/an/an/an/a 1.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay


J Med Chem 53: 6386-97 (2010)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 4.60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50433574
PNG
(CHEMBL2381694)
Show SMILES FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H12F3NO4/c18-17(19,20)25-12-6-7-14-13(10-12)15(22)16(23)21(14)8-9-24-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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n/an/an/an/a 4.60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50433574
PNG
(CHEMBL2381694)
Show SMILES FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H12F3NO4/c18-17(19,20)25-12-6-7-14-13(10-12)15(22)16(23)21(14)8-9-24-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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n/an/an/an/a 4.60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 4.60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor


Bioorg Med Chem Lett 23: 2996-3000 (2013)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416732
PNG
(CHEMBL1223754)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O
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-
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n/an/an/an/a 12.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM10759
PNG
(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
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n/an/an/an/a 19n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416733
PNG
(CHEMBL1223803)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
Show InChI InChI=1S/C24H36N2O2/c1-4-15-28-21-7-11-24(3,12-8-21)25-13-9-20(10-14-25)26-22-16-18(2)5-6-19(22)17-23(26)27/h5-6,16,20-21H,4,7-15,17H2,1-3H3/t21-,24-
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416734
PNG
(CHEMBL1223804)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
Show InChI InChI=1S/C23H34N2O2/c1-4-27-20-7-11-23(3,12-8-20)24-13-9-19(10-14-24)25-21-15-17(2)5-6-18(21)16-22(25)26/h5-6,15,19-20H,4,7-14,16H2,1-3H3/t20-,23-
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50024542
PNG
(CHEMBL3334991)
Show SMILES O[C@H]1C[C@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1/C18H15FN2O2/c19-14-3-1-2-12(8-14)4-5-13-6-7-17(20-11-13)18(23)21-15-9-16(22)10-15/h1-3,6-8,11,15-16,22H,9-10H2,(H,21,23)/t15-,16+
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n/an/an/an/a 33n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader


J Med Chem 57: 7485-98 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50263888
PNG
(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)
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n/an/an/an/a 34.3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5439-42 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50275588
PNG
(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)
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n/an/an/an/a 34.3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416738
PNG
(CHEMBL1223860)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2oc1=O
Show InChI InChI=1S/C22H31FN2O3/c1-4-27-17-5-9-22(3,10-6-17)24-11-7-16(8-12-24)25-19-13-15(2)18(23)14-20(19)28-21(25)26/h13-14,16-17H,4-12H2,1-3H3/t17-,22-
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n/an/an/an/a 50.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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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n/an/an/an/a 55n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M5 determined by receptor selection and amplification technology (R-SAT)


J Med Chem 38: 2188-95 (1995)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50035280
PNG
(3-Isopropoxy-5,6,7,8-tetrahydro-4H-isoxazolo[4,5-c...)
Show SMILES CC(C)Oc1noc2CCCNCc12
Show InChI InChI=1S/C10H16N2O2/c1-7(2)13-10-8-6-11-5-3-4-9(8)14-12-10/h7,11H,3-6H2,1-2H3
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n/an/an/an/a 110n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M5 determined by receptor selection and amplification technology (R-SAT)


J Med Chem 38: 2188-95 (1995)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023268
PNG
(CHEMBL3329764)
Show SMILES CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H31F3N4O3S/c1-25(2,3)17-32(16-19-6-4-5-7-22(19)26(27,28)29)24(34)18-10-12-33(13-11-18)37(35,36)21-8-9-23-20(14-21)15-30-31-23/h4-9,14-15,18H,10-13,16-17H2,1-3H3,(H,30,31)
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n/an/an/an/a 120n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023269
PNG
(CHEMBL3329765)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30)
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n/an/an/an/a 120n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023269
PNG
(CHEMBL3329765)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30)
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n/an/an/an/a 120n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023268
PNG
(CHEMBL3329764)
Show SMILES CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H31F3N4O3S/c1-25(2,3)17-32(16-19-6-4-5-7-22(19)26(27,28)29)24(34)18-10-12-33(13-11-18)37(35,36)21-8-9-23-20(14-21)15-30-31-23/h4-9,14-15,18H,10-13,16-17H2,1-3H3,(H,30,31)
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n/an/an/an/a 123n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
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
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n/an/an/an/a 123n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416735
PNG
(CHEMBL1223805)
Show SMILES CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
Show InChI InChI=1S/C22H32N2O2/c1-16-4-5-17-15-21(25)24(20(17)14-16)18-8-12-23(13-9-18)22(2)10-6-19(26-3)7-11-22/h4-5,14,18-19H,6-13,15H2,1-3H3/t19-,22-
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023270
PNG
(CHEMBL3329766)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CCC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H29F3N4O3S/c27-26(28,29)23-7-2-1-6-20(23)17-32(16-18-4-3-5-18)25(34)19-10-12-33(13-11-19)37(35,36)22-8-9-24-21(14-22)15-30-31-24/h1-2,6-9,14-15,18-19H,3-5,10-13,16-17H2,(H,30,31)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023270
PNG
(CHEMBL3329766)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CCC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H29F3N4O3S/c27-26(28,29)23-7-2-1-6-20(23)17-32(16-18-4-3-5-18)25(34)19-10-12-33(13-11-19)37(35,36)22-8-9-24-21(14-22)15-30-31-24/h1-2,6-9,14-15,18-19H,3-5,10-13,16-17H2,(H,30,31)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1
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
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n/an/an/an/a 140n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay


J Med Chem 53: 6386-97 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1
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
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n/an/an/an/a 142n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023267
PNG
(CHEMBL3329763)
Show SMILES CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1/C25H29F3N4O3S/c1-3-17(2)32(16-19-6-4-5-7-22(19)25(26,27)28)24(33)18-10-12-31(13-11-18)36(34,35)21-8-9-23-20(14-21)15-29-30-23/h4-9,14-15,17-18H,3,10-13,16H2,1-2H3,(H,29,30)
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n/an/an/an/a 150n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023267
PNG
(CHEMBL3329763)
Show SMILES CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1/C25H29F3N4O3S/c1-3-17(2)32(16-19-6-4-5-7-22(19)25(26,27)28)24(33)18-10-12-31(13-11-18)36(34,35)21-8-9-23-20(14-21)15-29-30-23/h4-9,14-15,17-18H,3,10-13,16H2,1-2H3,(H,29,30)
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n/an/an/an/a 151n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023261
PNG
(CHEMBL3329756)
Show SMILES CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C24H27F3N4O3S/c1-2-11-30(16-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-12-31(13-10-17)35(33,34)20-7-8-22-19(14-20)15-28-29-22/h3-8,14-15,17H,2,9-13,16H2,1H3,(H,28,29)
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n/an/an/an/a 155n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416725
PNG
(CHEMBL1223862)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O
Show InChI InChI=1S/C22H32N2O4/c1-4-27-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(26-3)5-6-20(19)28-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416730
PNG
(CHEMBL1223940)
Show SMILES COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O
Show InChI InChI=1S/C23H34N2O4/c1-17-4-5-21-20(16-17)25(22(26)29-21)18-8-12-24(13-9-18)23(2)10-6-19(7-11-23)28-15-14-27-3/h4-5,16,18-19H,6-15H2,1-3H3/t19-,23-
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416739
PNG
(CHEMBL1223861)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O
Show InChI InChI=1S/C22H31FN2O3/c1-4-27-17-5-9-22(3,10-6-17)24-11-7-16(8-12-24)25-19-14-15(2)13-18(23)20(19)28-21(25)26/h13-14,16-17H,4-12H2,1-3H3/t17-,22-
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023261
PNG
(CHEMBL3329756)
Show SMILES CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C24H27F3N4O3S/c1-2-11-30(16-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-12-31(13-10-17)35(33,34)20-7-8-22-19(14-20)15-28-29-22/h3-8,14-15,17H,2,9-13,16H2,1H3,(H,28,29)
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n/an/an/an/a 160n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50122054
PNG
(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay


J Med Chem 53: 6386-97 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 195n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 210n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416729
PNG
(CHEMBL1223939)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O
Show InChI InChI=1S/C23H34N2O5S/c1-4-15-29-18-7-11-23(2,12-8-18)24-13-9-17(10-14-24)25-20-16-19(31(3,27)28)5-6-21(20)30-22(25)26/h5-6,16-18H,4,7-15H2,1-3H3/t18-,23-
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023260
PNG
(CHEMBL3329754)
Show SMILES CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H25ClN4O3S/c1-2-26(15-17-5-3-4-6-20(17)23)22(28)16-9-11-27(12-10-16)31(29,30)19-7-8-21-18(13-19)14-24-25-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25)
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n/an/an/an/a 347n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50023260
PNG
(CHEMBL3329754)
Show SMILES CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H25ClN4O3S/c1-2-26(15-17-5-3-4-6-20(17)23)22(28)16-9-11-27(12-10-16)31(29,30)19-7-8-21-18(13-19)14-24-25-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25)
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n/an/an/an/a 350n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/an/an/a 360n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M5 determined by receptor selection and amplification technology (R-SAT)


J Med Chem 38: 2188-95 (1995)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416726
PNG
(CHEMBL1223863)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N
Show InChI InChI=1S/C22H29N3O3/c1-3-27-18-6-10-22(2,11-7-18)24-12-8-17(9-13-24)25-19-14-16(15-23)4-5-20(19)28-21(25)26/h4-5,14,17-18H,3,6-13H2,1-2H3/t18-,22-
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50416736
PNG
(CHEMBL1223806)
Show SMILES CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O
Show InChI InChI=1S/C21H30N2O3/c1-15-4-5-19-18(14-15)23(20(24)26-19)16-8-12-22(13-9-16)21(2)10-6-17(25-3)7-11-21/h4-5,14,16-17H,6-13H2,1-3H3/t17-,21-
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 5434-8 (2010)

More data for this
Ligand-Target Pair
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