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Articleid 50028993

Compile data set for download or QSAR
Found 21 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/M2/M3/M4/M5


(RAT)		BDBM50003351
PNG
(3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,...)
Show SMILES CCCCOc1nsnc1C1=CCCN(C)C1 |t:11|
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 M1


(RAT)		BDBM50003351
PNG
(3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,...)
Show SMILES CCCCOc1nsnc1C1=CCCN(C)C1 |t:11|
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 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1


(RAT)		BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1/M2/M3/M4/M5


(RAT)		BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/a 9.70n/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		3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50006579
PNG
(5-(4-Butoxy-furazan-3-yl)-1-methyl-1,2,3,6-tetrahy...)
Show SMILES CCCCOc1nonc1C1=CCCN(C)C1 |t:11|
Show InChI InChI=1S/C12H19N3O2/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 24n/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 M1/M2/M3/M4/M5


(RAT)		BDBM50003371
PNG
(5-(4-Hexyloxy-furazan-3-yl)-1-methyl-1,2,3,6-tetra...)
Show SMILES CCCCCCOc1nonc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3O2/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/a 70n/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 M1/M2/M3/M4/M5


(RAT)		BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
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 77n/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 M1


(RAT)		BDBM50003371
PNG
(5-(4-Hexyloxy-furazan-3-yl)-1-methyl-1,2,3,6-tetra...)
Show SMILES CCCCCCOc1nonc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3O2/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/a 277n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1


(RAT)		BDBM50006579
PNG
(5-(4-Butoxy-furazan-3-yl)-1-methyl-1,2,3,6-tetrahy...)
Show SMILES CCCCOc1nonc1C1=CCCN(C)C1 |t:11|
Show InChI InChI=1S/C12H19N3O2/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 345n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1/M2/M3/M4/M5


(RAT)		BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 355n/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 M1


(RAT)		BDBM50280531
PNG
(5-(4-Butoxy-thiophen-3-yl)-1-methyl-1,2,3,6-tetrah...)
Show SMILES CCCCOc1cscc1C1=CCCN(C)C1 |t:11|
Show InChI InChI=1S/C14H21NOS/c1-3-4-8-16-14-11-17-10-13(14)12-6-5-7-15(2)9-12/h6,10-11H,3-5,7-9H2,1-2H3
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n/an/a 369n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1/M2/M3/M4/M5


(RAT)		BDBM50280531
PNG
(5-(4-Butoxy-thiophen-3-yl)-1-methyl-1,2,3,6-tetrah...)
Show SMILES CCCCOc1cscc1C1=CCCN(C)C1 |t:11|
Show InChI InChI=1S/C14H21NOS/c1-3-4-8-16-14-11-17-10-13(14)12-6-5-7-15(2)9-12/h6,10-11H,3-5,7-9H2,1-2H3
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n/an/a 477n/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 M1/M2/M3/M4/M5


(RAT)		BDBM50280532
PNG
(5-(3-Butoxy-isothiazol-4-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCCCOc1nscc1C1=CCCN(C)C1 |t:11|
Show InChI InChI=1S/C13H20N2OS/c1-3-4-8-16-13-12(10-17-14-13)11-6-5-7-15(2)9-11/h6,10H,3-5,7-9H2,1-2H3
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n/an/a 544n/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 M1


(RAT)		BDBM50280532
PNG
(5-(3-Butoxy-isothiazol-4-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCCCOc1nscc1C1=CCCN(C)C1 |t:11|
Show InChI InChI=1S/C13H20N2OS/c1-3-4-8-16-13-12(10-17-14-13)11-6-5-7-15(2)9-11/h6,10H,3-5,7-9H2,1-2H3
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n/an/a 565n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1


(RAT)		BDBM50280533
PNG
(5-(4-Hexyloxy-thiophen-3-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCCCCCOc1cscc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C16H25NOS/c1-3-4-5-6-10-18-16-13-19-12-15(16)14-8-7-9-17(2)11-14/h8,12-13H,3-7,9-11H2,1-2H3
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n/an/a 663n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1


(RAT)		BDBM50280530
PNG
(5-(3-Hexyloxy-isothiazol-4-yl)-1-methyl-1,2,3,6-te...)
Show SMILES CCCCCCOc1nscc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C15H24N2OS/c1-3-4-5-6-10-18-15-14(12-19-16-15)13-8-7-9-17(2)11-13/h8,12H,3-7,9-11H2,1-2H3
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n/an/a 715n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1/M2/M3/M4/M5


(RAT)		BDBM50212579
PNG
(CHEMBL167375)
Show SMILES CCCCOc1noc(C)c1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C14H22N2O2/c1-4-5-9-17-14-13(11(2)18-15-14)12-7-6-8-16(3)10-12/h7H,4-6,8-10H2,1-3H3
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n/an/a 759n/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 M1/M2/M3/M4/M5


(RAT)		BDBM50280533
PNG
(5-(4-Hexyloxy-thiophen-3-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCCCCCOc1cscc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C16H25NOS/c1-3-4-5-6-10-18-16-13-19-12-15(16)14-8-7-9-17(2)11-14/h8,12-13H,3-7,9-11H2,1-2H3
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n/an/a>900n/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 M1/M2/M3/M4/M5


(RAT)		BDBM50280530
PNG
(5-(3-Hexyloxy-isothiazol-4-yl)-1-methyl-1,2,3,6-te...)
Show SMILES CCCCCCOc1nscc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C15H24N2OS/c1-3-4-5-6-10-18-15-14(12-19-16-15)13-8-7-9-17(2)11-13/h8,12H,3-7,9-11H2,1-2H3
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n/an/a>900n/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 M1


(RAT)		BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 955n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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 M1


(RAT)		BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
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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UniChem

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Article
n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus

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
* indicates data uncertainty>20%