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Compile Data Set for Download or QSAR

Found 198 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M4'   
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 M4


(RAT)
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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n/an/a 11n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-cyclic AMP accumulation in CHO transfected cells mediated by Muscarinic acetylcholine receptor M4


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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/a 230n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-cyclic AMP accumulation in CHO transfected cells mediated by Muscarinic acetylcholine receptor M4


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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n/an/a 470n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-cyclic AMP accumulation in CHO transfected cells mediated by Muscarinic acetylcholine receptor M4


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/a 493n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/a 700n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-cyclic AMP accumulation in CHO transfected cells mediated by Muscarinic acetylcholine receptor M4


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373835
PNG
(CHEMBL256202)
Show SMILES CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C18H28ClN3O/c1-3-5-6-7-18(23)20-15-8-9-17(16(19)14-15)22-12-10-21(4-2)11-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50424114
PNG
(CHEMBL2315675)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50424114
PNG
(CHEMBL2315675)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373841
PNG
(CHEMBL270580)
Show SMILES CCCCOc1cccc(c1)C(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C23H30ClN3O2/c1-3-5-15-29-20-8-6-7-18(16-20)23(28)25-19-9-10-22(21(24)17-19)27-13-11-26(4-2)12-14-27/h6-10,16-17H,3-5,11-15H2,1-2H3,(H,25,28)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50424122
PNG
(CHEMBL2315676)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CC2CC(CC2C1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C27H34N4O/c1-19-6-2-3-7-20(19)16-29-12-10-23(11-13-29)30-17-21-14-24(15-22(21)18-30)31-26-9-5-4-8-25(26)28-27(31)32/h2-9,21-24H,10-18H2,1H3,(H,28,32)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50424117
PNG
(CHEMBL2315680)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373834
PNG
(CHEMBL255169)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CCc2ccccc2)cc1Cl
Show InChI InChI=1S/C21H26ClN3O/c1-2-24-12-14-25(15-13-24)20-10-9-18(16-19(20)22)23-21(26)11-8-17-6-4-3-5-7-17/h3-7,9-10,16H,2,8,11-15H2,1H3,(H,23,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373836
PNG
(CHEMBL271704)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H26ClN3O/c1-2-25-10-12-26(13-11-25)21-9-8-17(14-20(21)23)24-22(27)19-15-18(19)16-6-4-3-5-7-16/h3-9,14,18-19H,2,10-13,15H2,1H3,(H,24,27)/t18-,19+/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50445223
PNG
(CHEMBL3105208)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1
Show InChI InChI=1S/C23H16F2N2O2/c24-19-11-10-15(14-20(19)25)21(28)26-12-13-27-22(29)17-8-4-5-9-18(17)23(26,27)16-6-2-1-3-7-16/h1-11,14H,12-13H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as inhibition of acetylcholine-induced cal...


J Med Chem 56: 9351-5 (2013)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50445222
PNG
(CHEMBL3105228)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as inhibition of acetylcholine-induced cal...


J Med Chem 56: 9351-5 (2013)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50231856
PNG
(CHEMBL271519 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C19H22ClN3O/c1-2-22-10-12-23(13-11-22)18-9-8-16(14-17(18)20)21-19(24)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,21,24)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373833
PNG
(CHEMBL404874)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CC(C)(C)C)cc1Cl
Show InChI InChI=1S/C18H28ClN3O/c1-5-21-8-10-22(11-9-21)16-7-6-14(12-15(16)19)20-17(23)13-18(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,23)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373832
PNG
(CHEMBL429780)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(14-18(19)21)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
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Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373840
PNG
(CHEMBL258281)
Show SMILES CCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C16H24ClN3O/c1-3-5-16(21)18-13-6-7-15(14(17)12-13)20-10-8-19(4-2)9-11-20/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,21)
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Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373837
PNG
(CHEMBL429320)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)C2CCCCC2)cc1Cl
Show InChI InChI=1S/C19H28ClN3O/c1-2-22-10-12-23(13-11-22)18-9-8-16(14-17(18)20)21-19(24)15-6-4-3-5-7-15/h8-9,14-15H,2-7,10-13H2,1H3,(H,21,24)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373839
PNG
(CHEMBL438706)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1Cl
Show InChI InChI=1S/C20H23ClFN3O/c1-2-24-9-11-25(12-10-24)19-8-7-17(14-18(19)21)23-20(26)13-15-3-5-16(22)6-4-15/h3-8,14H,2,9-13H2,1H3,(H,23,26)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50231845
PNG
(CHEMBL255523 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
Show InChI InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373838
PNG
(CHEMBL258335)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)COCc2ccccc2)cc1Cl
Show InChI InChI=1S/C21H26ClN3O2/c1-2-24-10-12-25(13-11-24)20-9-8-18(14-19(20)22)23-21(26)16-27-15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48044
PNG
(3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyri...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
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4.68E-14n/an/an/an/an/an/an/an/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 (2009)

More data for this
Ligand-Target Pair
cholinergic receptor, muscarinic 4


(RAT)
BDBM48043
PNG
(3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
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0.0000288n/an/an/an/an/an/an/an/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 (2009)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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0.140n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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0.400n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50403547
PNG
(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?
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0.520n/an/an/an/an/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50403547
PNG
(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?
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0.520n/an/an/an/an/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50403547
PNG
(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?
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0.560n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50064176
PNG
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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1.02n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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1.10n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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1.40n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50408535
PNG
(CHEMBL131865)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47)
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1.40n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4


J Med Chem 41: 4150-60 (1998)

Checked by Author
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50408527
PNG
(CHEMBL1202004)
Show SMILES CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1S/C52H70N8O4/c1-57(37-23-9-5-19-33-53-39-49(61)59-45-29-15-11-25-41(45)51(63)55-43-27-13-17-31-47(43)59)35-21-7-3-4-8-22-36-58(2)38-24-10-6-20-34-54-40-50(62)60-46-30-16-12-26-42(46)52(64)56-44-28-14-18-32-48(44)60/h11-18,25-32,53-54H,3-10,19-24,33-40H2,1-2H3,(H,55,63)(H,56,64)
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2.80n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4


J Med Chem 41: 4150-60 (1998)

Checked by Author
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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5.20n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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5.60n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50071173
PNG
((3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-pip...)
Show SMILES C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16+,17-,18-,19+,20?,21?/m0/s1
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6.02n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Pharmacol Toxicol 83: 200-7 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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7.80n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM81900
PNG
(AQ-RA 741 | CAS_129989 | NSC_129989)
Show SMILES CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34)
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10n/an/an/an/an/an/an/an/a



University of Bologna

Curated by PDSP Ki Database




J Med Chem 36: 3734-7 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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11n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4


J Med Chem 41: 4150-60 (1998)

Checked by Author
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM82559
PNG
(methoctramine analog 5)
Show SMILES CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C60H75N13O3/c1-69(43-71-52-31-13-10-25-46(52)58(74)66-49-28-22-38-63-55(49)71)41-20-8-6-18-36-61-34-16-4-2-3-5-17-35-62-37-19-7-9-21-42-70(44-72-53-32-14-11-26-47(53)59(75)67-50-29-23-39-64-56(50)72)45-73-54-33-15-12-27-48(54)60(76)68-51-30-24-40-65-57(51)73/h10-15,22-33,38-40,61-62H,2-9,16-21,34-37,41-45H2,1H3,(H,66,74)(H,67,75)(H,68,76)
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11.8n/an/an/an/an/an/an/an/a



University of Bologna

Curated by PDSP Ki Database




J Med Chem 36: 3734-7 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 14: 87-96 (1996)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50407222
PNG
(CHEMBL112244)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
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16n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4


J Med Chem 41: 4150-60 (1998)

Checked by Author
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM82376
PNG
(CAS_80880-90-6 | NSC_5387 | TELENZEPINE)
Show SMILES CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1
Show InChI InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)
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17.4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-N-Methyl-scopolamine to muscarinic acetylcholine receptor M4 of rat heart NG108-15 cells


J Med Chem 34: 2133-45 (1991)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 14: 87-96 (1996)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50408540
PNG
(CHEMBL335115)
Show SMILES CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN
Show InChI InChI=1S/C36H55N7O4/c1-41(32(44)21-9-7-13-23-37)26-15-5-3-4-6-16-27-42(2)33(45)22-10-8-14-24-38-28-34(46)43-31-20-12-11-18-29(31)36(47)40-30-19-17-25-39-35(30)43/h11-12,17-20,25,38H,3-10,13-16,21-24,26-28,37H2,1-2H3,(H,40,47)
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20n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4


J Med Chem 41: 4150-60 (1998)

Checked by Author
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50012338
PNG
((6-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3...)
Show SMILES CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C29H40N6O4/c1-29(2,3)39-28(38)31-14-8-4-5-9-16-33-17-19-34(20-18-33)21-25(36)35-24-13-7-6-11-22(24)27(37)32-23-12-10-15-30-26(23)35/h6-7,10-13,15H,4-5,8-9,14,16-21H2,1-3H3,(H,31,38)(H,32,37)
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23n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-N-Methyl-scopolamine to muscarinic acetylcholine receptor M4 of rat heart NG108-15 cells


J Med Chem 34: 2133-45 (1991)

More data for this
Ligand-Target Pair
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