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Compile Data Set for Download or QSAR

Found 958 hits of ic50 for UniProtKB: P08485   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor


(RAT)
BDBM50213281
PNG
(CHEMBL351561)
Show SMILES C\C(=C\CO\N=C1/CN2CCC1C2)C#Cc1cccs1
Show InChI InChI=1S/C16H18N2OS/c1-13(4-5-15-3-2-10-20-15)7-9-19-17-16-12-18-8-6-14(16)11-18/h2-3,7,10,14H,6,8-9,11-12H2,1H3/b13-7-,17-16+
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n/an/a 0.0200n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213074
PNG
(CHEMBL156050)
Show SMILES C\C(=C\CO\N=C1/CN2CCC1C2)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O/c1-14(2-3-15-4-6-17(19)7-5-15)9-11-22-20-18-13-21-10-8-16(18)12-21/h4-7,9,16H,8,10-13H2,1H3/b14-9-,20-18+
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n/an/a 0.0300n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213283
PNG
(CHEMBL350223)
Show SMILES COc1ccc(cc1)C#C\C(C)=C/CO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C19H22N2O2/c1-15(3-4-16-5-7-18(22-2)8-6-16)10-12-23-20-19-14-21-11-9-17(19)13-21/h5-8,10,17H,9,11-14H2,1-2H3/b15-10-,20-19+
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213207
PNG
(CHEMBL160582)
Show SMILES C\C(=C\CO\N=C1/CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-15(7-8-16-5-3-2-4-6-16)10-12-21-19-18-14-20-11-9-17(18)13-20/h2-6,10,17H,9,11-14H2,1H3/b15-10-,19-18+
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50280565
PNG
(5-(1-Aza-bicyclo[2.2.1]hept-3-yl)-[1,2,4]oxadiazol...)
Show SMILES Nc1noc(n1)C1CN2CCC1C2
Show InChI InChI=1S/C8H12N4O/c9-8-10-7(13-11-8)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,9,11)
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213070
PNG
(CHEMBL405426)
Show SMILES C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O/c1-14(2-3-15-4-6-17(19)7-5-15)9-11-22-20-18-13-21-10-8-16(18)12-21/h4-7,9,16H,8,10-13H2,1H3/b14-9-,20-18-
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n/an/a 0.450n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213278
PNG
(CHEMBL156445)
Show SMILES COc1cccc(c1)C#C\C(C)=C/CO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C19H22N2O2/c1-15(6-7-16-4-3-5-18(12-16)22-2)9-11-23-20-19-14-21-10-8-17(19)13-21/h3-5,9,12,17H,8,10-11,13-14H2,1-2H3/b15-9-,20-19+
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n/an/a 0.520n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213077
PNG
(CHEMBL348412)
Show SMILES C\C(=C\CO\N=C1/CN2CCC1C2)C#Cc1ccc(C)cc1
Show InChI InChI=1S/C19H22N2O/c1-15-3-6-17(7-4-15)8-5-16(2)10-12-22-20-19-14-21-11-9-18(19)13-21/h3-4,6-7,10,18H,9,11-14H2,1-2H3/b16-10-,20-19+
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n/an/a 0.570n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50070692
PNG
(CHEMBL99240)
Show SMILES CCCCCCOc1nsnc1[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C34H50N8O8/c1-3-20(2)28(42-30(46)24(12-7-8-16-35)39-29(45)23-19-22(43)14-15-27(23)44)32(48)41-26(18-21-10-5-4-6-11-21)31(47)40-25(33(49)50)13-9-17-38-34(36)37/h4-6,10-11,14-15,19-20,24-26,28,43-44H,3,7-9,12-13,16-18,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,49,50)(H4,36,37,38)/t20?,24-,25-,26-,28-/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50072214
PNG
((R)-3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiaz...)
Show SMILES C(Oc1nsnc1[C@H]1CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-2-5-13(6-3-1)7-4-10-21-17-16(18-22-19-17)15-12-20-9-8-14(15)11-20/h1-3,5-6,14-15H,8-12H2/t14?,15-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50291551
PNG
(CHEMBL274329 | Trimethyl-[4-(3-oxo-isoxazolidin-2-...)
Show SMILES C[N+](C)(C)CC#CCN1OCCC1=O
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)8-5-4-7-11-10(13)6-9-14-11/h6-9H2,1-3H3/q+1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Muscarinic receptor M2 in rat heart using [3H]-QNB (quinuclidinyl benzylate) radioligand as a M2 non-selective muscarinic receptor antagonist at a co...


Bioorg Med Chem Lett 7: 1033-1036 (1997)


Article DOI: 10.1016/S0960-894X(97)00150-9
BindingDB Entry DOI: 10.7270/Q2S46RZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213286
PNG
(CHEMBL346580)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H18Cl2N2O/c1-13(2-3-14-4-5-16(19)17(20)10-14)7-9-23-21-18-12-22-8-6-15(18)11-22/h4-5,7,10,15H,6,8-9,11-12H2,1H3/b13-7+,21-18+
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50065207
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((Z)-3-methyl-p...)
Show SMILES C\C(=C\CO\N=C1/CN2CCC1C2)C#C
Show InChI InChI=1S/C12H16N2O/c1-3-10(2)5-7-15-13-12-9-14-6-4-11(12)8-14/h1,5,11H,4,6-9H2,2H3/b10-5-,13-12+
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213279
PNG
(CHEMBL345415)
Show SMILES C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-15(7-8-16-5-3-2-4-6-16)10-12-21-19-18-14-20-11-9-17(18)13-20/h2-6,10,17H,9,11-14H2,1H3/b15-10-,19-18-
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50072227
PNG
((1R,5R,6R)-6-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]t...)
Show SMILES C(Oc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50070735
PNG
(CHEMBL317324)
Show SMILES CCCCCCOc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2
Show InChI InChI=1S/C29H48N8O8/c1-4-16(3)23(27(43)34-19(5-2)28(44)45)37-26(42)21(10-8-14-33-29(31)32)36-25(41)20(9-6-7-13-30)35-24(40)18-15-17(38)11-12-22(18)39/h11-12,15-16,19-21,23,38-39H,4-10,13-14,30H2,1-3H3,(H,34,43)(H,35,40)(H,36,41)(H,37,42)(H,44,45)(H4,31,32,33)/t16?,19?,20-,21-,23-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50070647
PNG
(CHEMBL329924)
Show SMILES C(CSc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)Cc1ccccc1
Show InChI InChI=1S/C18H23N5O/c1-3-6-13-7-4-5-8-14(13)9-15(12(2)24)23-11-22-16-17(19)20-10-21-18(16)23/h4-5,7-8,10-12,15,24H,3,6,9H2,1-2H3,(H2,19,20,21)/t12-,15+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50070725
PNG
(CHEMBL318403)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCc1ccccc1
Show InChI InChI=1S/C28H43N5O8/c1-4-16(3)23(26(38)30-19(5-2)28(40)41)32-25(37)21-10-8-14-33(21)27(39)20(9-6-7-13-29)31-24(36)18-15-17(34)11-12-22(18)35/h11-12,15-16,19-21,23,34-35H,4-10,13-14,29H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,40,41)/t16?,19?,20-,21-,23-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213079
PNG
(CHEMBL160928)
Show SMILES COc1ccc(cc1OC)C#C\C(C)=C/CO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C20H24N2O3/c1-15(4-5-16-6-7-19(23-2)20(12-16)24-3)9-11-25-21-18-14-22-10-8-17(18)13-22/h6-7,9,12,17H,8,10-11,13-14H2,1-3H3/b15-9-,21-18+
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50367705
PNG
(SULFOARECOLINE IODIDE)
Show SMILES COC(=O)C1=CCC[S+](C)C1
Show InChI InChI=1S/C8H13O2S/c1-10-8(9)7-4-3-5-11(2)6-7/h4H,3,5-6H2,1-2H3/q+1
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n/an/a 1.40n/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]oxotremorine-M binding to rat brain membrane Muscarinic acetylcholine receptor


J Med Chem 31: 1312-6 (1988)


Article DOI: 10.1021/jm00402a010
BindingDB Entry DOI: 10.7270/Q2B27VW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50003351
PNG
(3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,...)
Show SMILES CCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C12H19N3OS/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-OXO-M (oxotremorine-M) from the central muscarinic receptor sites of the rat brain membranes


Bioorg Med Chem Lett 2: 809-814 (1992)


Article DOI: 10.1016/S0960-894X(00)80536-3
BindingDB Entry DOI: 10.7270/Q2T72HBX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50003351
PNG
(3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,...)
Show SMILES CCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C12H19N3OS/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
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/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50003369
PNG
(1-Methyl-5-(4-propoxy-[1,2,5]thiadiazol-3-yl)-1,2,...)
Show SMILES CCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C11H17N3OS/c1-3-7-15-11-10(12-16-13-11)9-5-4-6-14(2)8-9/h5H,3-4,6-8H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50223182
PNG
(2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor M2 in rat brain using [3H]-QNB (quinuclidinyl benzylate) radioligand at a concentration of 0.12 nM


Bioorg Med Chem Lett 7: 1033-1036 (1997)


Article DOI: 10.1016/S0960-894X(97)00150-9
BindingDB Entry DOI: 10.7270/Q2S46RZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213071
PNG
(CHEMBL160939)
Show SMILES C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O/c1-14(2-3-15-4-6-17(19)7-5-15)9-11-22-20-18-13-21-10-8-16(18)12-21/h4-7,9,16H,8,10-13H2,1H3/b14-9-,20-18-
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50072225
PNG
((1R,5R,6R)-6-[4-(3-Phenyl-prop-2-ynylsulfanyl)-[1,...)
Show SMILES C(Sc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3S2/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50070684
PNG
(CHEMBL321073)
Show SMILES C(CSc1nsnc1[C@H]1C[N@@]2CC[C@H]1C2)Cc1ccccc1
Show InChI InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15?,18?,19-,20-,22-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]oxotremorine-M binding to rat brain membrane Muscarinic acetylcholine receptor


J Med Chem 31: 1312-6 (1988)


Article DOI: 10.1021/jm00402a010
BindingDB Entry DOI: 10.7270/Q2B27VW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]quinuclidinyl benzilate (QNB) from Muscarinic acetylcholine receptor in rat brain


J Med Chem 31: 454-61 (1988)


Article DOI: 10.1021/jm00397a032
BindingDB Entry DOI: 10.7270/Q25T3JGG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
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/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor M2 in rat brain using [3H]-QNB (quinuclidinyl benzylate) radioligand at a concentration of 0.12 nM


Bioorg Med Chem Lett 7: 1033-1036 (1997)


Article DOI: 10.1016/S0960-894X(97)00150-9
BindingDB Entry DOI: 10.7270/Q2S46RZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212901
PNG
(CHEMBL280748)
Show SMILES Nc1nncc(n1)[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C9H13N5/c10-9-12-8(3-11-13-9)7-5-14-2-1-6(7)4-14/h3,6-7H,1-2,4-5H2,(H2,10,12,13)/t6-,7-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Ability to inhibit [3H]oxotremorine-M (OXO-M) binding in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229676
PNG
(CHEMBL78697)
Show SMILES Nc1nnn(n1)[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C7H12N6/c8-7-9-11-13(10-7)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,8,10)/t5-,6-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229669
PNG
(CHEMBL309432)
Show SMILES OC(c1nnn(n1)C1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23N5O/c27-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-22-24-26(23-20)19-15-25-13-11-16(19)12-14-25/h1-10,16,19,27H,11-15H2
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n/an/a 2.80n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
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/a 2.80n/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane from muscarinic acetylcholine receptor in rat cortical tissue.


J Med Chem 35: 15-27 (1992)


Article DOI: 10.1021/jm00079a002
BindingDB Entry DOI: 10.7270/Q29022RV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229528
PNG
(CHEMBL93406)
Show SMILES Cc1noc(n1)[C@@H]1C[N@]2CC[C@@H]1C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


Article DOI: 10.1021/jm00113a009
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50023702
PNG
(5-Methyl-3-prop-2-ynyloxy-6,7-dihydro-4H-thiopyran...)
Show SMILES C[S+]1CCc2onc(OCC#C)c2C1
Show InChI InChI=1S/C10H12NO2S/c1-3-5-12-10-8-7-14(2)6-4-9(8)13-11-10/h1H,4-7H2,2H3/q+1
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n/an/a 3.30n/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]oxotremorine-M binding to rat brain membrane Muscarinic acetylcholine receptor


J Med Chem 31: 1312-6 (1988)


Article DOI: 10.1021/jm00402a010
BindingDB Entry DOI: 10.7270/Q2B27VW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50072227
PNG
((1R,5R,6R)-6-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]t...)
Show SMILES C(Oc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of cAMP in CHO cells expressing human m2 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229684
PNG
(CHEMBL78615)
Show SMILES Clc1nnn(n1)C12CCN(C1)CCC2
Show InChI InChI=1S/C8H12ClN5/c9-7-10-12-14(11-7)8-2-1-4-13(6-8)5-3-8/h1-6H2
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n/an/a 3.5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic acetylcholine receptor


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50280560
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-pent-2-ynyl-oxi...)
Show SMILES CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C11H16N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h10H,2,5-9H2,1H3/b12-11+
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n/an/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229669
PNG
(CHEMBL309432)
Show SMILES OC(c1nnn(n1)C1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23N5O/c27-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-22-24-26(23-20)19-15-25-13-11-16(19)12-14-25/h1-10,16,19,27H,11-15H2
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n/an/a 3.60n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50065221
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((E)-3-methyl-p...)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#C
Show InChI InChI=1S/C12H16N2O/c1-3-10(2)5-7-15-13-12-9-14-6-4-11(12)8-14/h1,5,11H,4,6-9H2,2H3/b10-5+,13-12+
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TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50452855
PNG
(Isoptpo Hyoscine | SCOPOLAMINE | Scopolamine)
Show SMILES CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn


J Med Chem 39: 570-81 (1996)


Article DOI: 10.1021/jm9506433
BindingDB Entry DOI: 10.7270/Q2BR8R7K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50452855
PNG
(Isoptpo Hyoscine | SCOPOLAMINE | Scopolamine)
Show SMILES CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the absence of Zn


J Med Chem 39: 570-81 (1996)


Article DOI: 10.1021/jm9506433
BindingDB Entry DOI: 10.7270/Q2BR8R7K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50291550
PNG
(3-(4-Pyrrolidin-1-yl-but-2-ynyloxy)-4,5-dihydro-is...)
Show SMILES C(OC1=NOCC1)C#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c1-2-7-13(6-1)8-3-4-9-14-11-5-10-15-12-11/h1-2,5-10H2
PDB

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Article
n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was assessed for the binding affinity against muscarinic receptor subtypes in rat brain using [3H]OXO-M radioligand as a muscarinic receptor...


Bioorg Med Chem Lett 7: 1033-1036 (1997)


Article DOI: 10.1016/S0960-894X(97)00150-9
BindingDB Entry DOI: 10.7270/Q2S46RZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50280567
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-but-2-ynyl-oxim...)
Show SMILES CC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C10H14N2O/c1-2-3-6-13-11-10-8-12-5-4-9(10)7-12/h9H,4-8H2,1H3/b11-10+
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213280
PNG
(CHEMBL348079)
Show SMILES C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1cccs1
Show InChI InChI=1S/C16H18N2OS/c1-13(4-5-15-3-2-10-20-15)7-9-19-17-16-12-18-8-6-14(16)11-18/h2-3,7,10,14H,6,8-9,11-12H2,1H3/b13-7-,17-16-
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229617
PNG
(CHEMBL311799)
Show SMILES Cc1nnn(n1)[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C8H13N5/c1-6-9-11-13(10-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m0/s1
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PubMed
n/an/a 4.20n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
More data for this
Ligand-Target Pair
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