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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'aagaard' and Initial = 'pj'   
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 receptor M2 and M3


(RAT)
BDBM50281902
PNG
((R)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m1/s1
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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281902
PNG
((R)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281904
PNG
(2-[(E)-3-(9,10-Dihydro-anthracen-9-yl)-allyl]-1-me...)
Show SMILES CN1CCCCC1C\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,8-10,13-15,20,23H,6-7,11-12,16-17H2,1H3/b15-8+
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n/an/an/a 5.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
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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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281905
PNG
(2-[3-(10H-Anthracen-9-ylidene)-propyl]-1-methyl-pi...)
Show SMILES CN1CCCCC1CCC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,9-10,13-15,20H,6-8,11-12,16-17H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281902
PNG
((R)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50280521
PNG
((4R,5S)-5-Methyl-4-[(E)-3-((R)-1-methyl-piperidin-...)
Show SMILES C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C
Show InChI InChI=1S/C14H23NO2/c1-11-12(10-14(16)17-11)6-5-8-13-7-3-4-9-15(13)2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3/b8-5+/t11-,12+,13+/m0/s1
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n/an/an/a 1.21E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50281906
PNG
(2-[(E)-2-(9,9a-Dihydro-4aH-xanthen-9-yl)-vinyl]-1-...)
Show SMILES CN1CCCCC1\C=C\C1C2C=CC=CC2Oc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-22-15-7-6-8-16(22)13-14-17-18-9-2-4-11-20(18)23-21-12-5-3-10-19(17)21/h2-5,9-14,16-18,20H,6-8,15H2,1H3/b14-13+
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n/an/an/a 25n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50281905
PNG
(2-[3-(10H-Anthracen-9-ylidene)-propyl]-1-methyl-pi...)
Show SMILES CN1CCCCC1CCC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,9-10,13-15,20H,6-8,11-12,16-17H2,1H3
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n/an/an/a 7.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281907
PNG
((S)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281906
PNG
(2-[(E)-2-(9,9a-Dihydro-4aH-xanthen-9-yl)-vinyl]-1-...)
Show SMILES CN1CCCCC1\C=C\C1C2C=CC=CC2Oc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-22-15-7-6-8-16(22)13-14-17-18-9-2-4-11-20(18)23-21-12-5-3-10-19(17)21/h2-5,9-14,16-18,20H,6-8,15H2,1H3/b14-13+
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281908
PNG
(2-((E)-2-Anthracen-9-yl-vinyl)-1-methyl-piperidine...)
Show SMILES CN1CCCCC1\C=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C22H23N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,16,19H,6-7,10,15H2,1H3/b14-13+
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n/an/an/a 679n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280521
PNG
((4R,5S)-5-Methyl-4-[(E)-3-((R)-1-methyl-piperidin-...)
Show SMILES C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C
Show InChI InChI=1S/C14H23NO2/c1-11-12(10-14(16)17-11)6-5-8-13-7-3-4-9-15(13)2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3/b8-5+/t11-,12+,13+/m0/s1
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n/an/an/a 9.70E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50281908
PNG
(2-((E)-2-Anthracen-9-yl-vinyl)-1-methyl-piperidine...)
Show SMILES CN1CCCCC1\C=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C22H23N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,16,19H,6-7,10,15H2,1H3/b14-13+
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50281909
PNG
((R)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
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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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50281904
PNG
(2-[(E)-3-(9,10-Dihydro-anthracen-9-yl)-allyl]-1-me...)
Show SMILES CN1CCCCC1C\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,8-10,13-15,20,23H,6-7,11-12,16-17H2,1H3/b15-8+
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50281907
PNG
((S)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281909
PNG
((R)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
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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n/an/an/a 148n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284319
PNG
((2S,6R)-1,2-Dimethyl-6-[(E)-2-((3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18-14-24-16(2)22(18)21/h11-12,15-22H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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n/an/an/a 167n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284320
PNG
((S)-1-{(1R,2R,3S,4aR,8aS)-1-[(E)-2-((2R,6S)-1,6-Di...)
Show SMILES C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C22H39NO2/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18(14-24)22(21)16(2)25/h11-12,15-22,24-25H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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n/an/an/a 494n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50284319
PNG
((2S,6R)-1,2-Dimethyl-6-[(E)-2-((3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18-14-24-16(2)22(18)21/h11-12,15-22H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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n/an/an/a 353n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50284321
PNG
(Acetic acid (S)-1-{(1R,2R,3S,4aR,8aS)-3-acetoxymet...)
Show SMILES C[C@H](OC(C)=O)[C@H]1[C@@H](COC(C)=O)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C26H43NO4/c1-17-9-8-11-23(27(17)5)13-14-25-24-12-7-6-10-21(24)15-22(16-30-19(3)28)26(25)18(2)31-20(4)29/h13-14,17-18,21-26H,6-12,15-16H2,1-5H3/b14-13+/t17-,18-,21+,22+,23+,24-,25+,26-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50284320
PNG
((S)-1-{(1R,2R,3S,4aR,8aS)-1-[(E)-2-((2R,6S)-1,6-Di...)
Show SMILES C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C22H39NO2/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18(14-24)22(21)16(2)25/h11-12,15-22,24-25H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284322
PNG
(Acetic acid (1R,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((...)
Show SMILES C[C@@H]1O[C@H](OC(C)=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C24H39NO3/c1-15-8-7-10-19(25(15)4)12-13-21-20-11-6-5-9-18(20)14-22-23(21)16(2)27-24(22)28-17(3)26/h12-13,15-16,18-24H,5-11,14H2,1-4H3/b13-12+/t15-,16-,18+,19+,20-,21+,22-,23+,24+/m0/s1
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n/an/an/a 866n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284321
PNG
(Acetic acid (S)-1-{(1R,2R,3S,4aR,8aS)-3-acetoxymet...)
Show SMILES C[C@H](OC(C)=O)[C@H]1[C@@H](COC(C)=O)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C26H43NO4/c1-17-9-8-11-23(27(17)5)13-14-25-24-12-7-6-10-21(24)15-22(16-30-19(3)28)26(25)18(2)31-20(4)29/h13-14,17-18,21-26H,6-12,15-16H2,1-5H3/b14-13+/t17-,18-,21+,22+,23+,24-,25+,26-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284323
PNG
(2,2-Dimethyl-propionic acid (1R,3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C27H45NO3/c1-17-10-9-12-20(28(17)6)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)30-25(23)31-26(29)27(3,4)5/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
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n/an/an/a 2.52E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50284322
PNG
(Acetic acid (1R,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((...)
Show SMILES C[C@@H]1O[C@H](OC(C)=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C24H39NO3/c1-15-8-7-10-19(25(15)4)12-13-21-20-11-6-5-9-18(20)14-22-23(21)16(2)27-24(22)28-17(3)26/h12-13,15-16,18-24H,5-11,14H2,1-4H3/b13-12+/t15-,16-,18+,19+,20-,21+,22-,23+,24+/m0/s1
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n/an/an/a 89n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50284323
PNG
(2,2-Dimethyl-propionic acid (1R,3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C27H45NO3/c1-17-10-9-12-20(28(17)6)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)30-25(23)31-26(29)27(3,4)5/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
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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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50284324
PNG
((1S,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-D...)
Show SMILES C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO2/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/h11-12,14-22,24H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+,22-/m0/s1
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n/an/an/a 96n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284324
PNG
((1S,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-D...)
Show SMILES C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO2/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/h11-12,14-22,24H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+,22-/m0/s1
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n/an/an/a 423n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50281902
PNG
((R)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m1/s1
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n/an/an/a 15n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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n/an/an/a 4.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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n/an/an/a 2.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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Article
n/an/an/a 21n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair