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PubMed code 10450949

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor was determined by displacing [3H]OXO-M in rat cortical homogenate


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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2n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity towards human muscarinic M2 receptor


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079592
PNG
(3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicyclo[...)
Show SMILES CCCCCCSc1nccnc1OC1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3
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7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079588
PNG
((S)-3-(3-Hexyloxy-pyrazin-2-yloxy)-1-aza-bicyclo[2...)
Show SMILES CCCCCCOc1nccnc1O[C@@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3O2/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m1/s1
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14n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50079584
PNG
(3-(3-Hexyloxy-pyrazin-2-yloxy)-1-aza-bicyclo[2.2.1...)
Show SMILES CCCCCCOc1nccnc1OC1CN2CCC1C2
Show InChI InChI=1S/C16H25N3O2/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3
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20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity towards human muscarinic M2 receptor


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079586
PNG
(3-(6-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicyclo[...)
Show SMILES CCCCCCSc1cncc(OC2CN3CCC2C3)n1
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-8-21-16-10-17-9-15(18-16)20-14-12-19-7-6-13(14)11-19/h9-10,13-14H,2-8,11-12H2,1H3
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22n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079584
PNG
(3-(3-Hexyloxy-pyrazin-2-yloxy)-1-aza-bicyclo[2.2.1...)
Show SMILES CCCCCCOc1nccnc1OC1CN2CCC1C2
Show InChI InChI=1S/C16H25N3O2/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3
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30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079589
PNG
(3-(3-Hexylsulfanyl-pyrazin-2-ylsulfanyl)-1-aza-bic...)
Show SMILES CCCCCCSc1nccnc1SC1CN2CCC1C2
Show InChI InChI=1S/C16H25N3S2/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3
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30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50079590
PNG
((S)-3-(Pyrazin-2-yloxy)-1-aza-bicyclo[2.2.1]heptan...)
Show SMILES C1CN2CC1[C@@H](C2)Oc1cnccn1
Show InChI InChI=1S/C10H13N3O/c1-4-13-6-8(1)9(7-13)14-10-5-11-2-3-12-10/h2-3,5,8-9H,1,4,6-7H2/t8?,9-/m1/s1
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40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity towards human muscarinic M2 receptor


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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42n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079594
PNG
((S)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m1/s1
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75n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079592
PNG
(3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicyclo[...)
Show SMILES CCCCCCSc1nccnc1OC1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3
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123n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079591
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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124n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079585
PNG
(3-(3-Hexyloxy-pyrazin-2-ylsulfanyl)-1-aza-bicyclo[...)
Show SMILES CCCCCCOc1nccnc1SC1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3
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292n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079588
PNG
((S)-3-(3-Hexyloxy-pyrazin-2-yloxy)-1-aza-bicyclo[2...)
Show SMILES CCCCCCOc1nccnc1O[C@@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3O2/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m1/s1
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465n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079593
PNG
((R)-3-(3-Hexyloxy-pyrazin-2-yloxy)-1-aza-bicyclo[2...)
Show SMILES CCCCCCOc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3O2/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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690n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079590
PNG
((S)-3-(Pyrazin-2-yloxy)-1-aza-bicyclo[2.2.1]heptan...)
Show SMILES C1CN2CC1[C@@H](C2)Oc1cnccn1
Show InChI InChI=1S/C10H13N3O/c1-4-13-6-8(1)9(7-13)14-10-5-11-2-3-12-10/h2-3,5,8-9H,1,4,6-7H2/t8?,9-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079590
PNG
((S)-3-(Pyrazin-2-yloxy)-1-aza-bicyclo[2.2.1]heptan...)
Show SMILES C1CN2CC1[C@@H](C2)Oc1cnccn1
Show InChI InChI=1S/C10H13N3O/c1-4-13-6-8(1)9(7-13)14-10-5-11-2-3-12-10/h2-3,5,8-9H,1,4,6-7H2/t8?,9-/m1/s1
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5.60E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079587
PNG
(CHEMBL301826 | Methyl-carbamic acid (S)-(1-aza-bic...)
Show SMILES CNC(=O)O[C@@H]1CN2CCC1C2
Show InChI InChI=1S/C8H14N2O2/c1-9-8(11)12-7-5-10-3-2-6(7)4-10/h6-7H,2-5H2,1H3,(H,9,11)/t6?,7-/m1/s1
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2.60E+4n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro functional agonism against M3 muscarinic receptor (PI)


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro functional agonism against M2 muscarinic receptor (cAMP)


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro functional agonism against M1 muscarinic receptor (PI)


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%