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Compile Data Set for Download or QSAR

Found 511 hits from Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories   
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 M1


(Homo sapiens (Human))
BDBM50095656
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-met...)
Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
Show InChI InChI=1S/C26H32F2N2O2/c1-19-6-5-7-20(16-19)18-30-14-11-23(12-15-30)29-24(31)26(32,21-8-3-2-4-9-21)22-10-13-25(27,28)17-22/h2-9,16,22-23,32H,10-15,17-18H2,1H3,(H,29,31)/t22-,26+/m1/s1
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0.880n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129387
PNG
((R)-1-(4-Amino-piperidin-1-yl)-2-cyclopentyl-2-hyd...)
Show SMILES NC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129390
PNG
((R)-1-[4-(2-Amino-ethyl)-4-ethyl-piperidin-1-yl]-2...)
Show SMILES CCC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C22H32F2N2O2/c1-2-20(10-13-25)11-14-26(15-12-20)19(27)22(28,17-6-4-3-5-7-17)18-8-9-21(23,24)16-18/h3-7,18,28H,2,8-16,25H2,1H3/t18-,22+/m1/s1
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1n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129399
PNG
((R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclope...)
Show SMILES NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C20H30N2O2/c21-13-10-16-11-14-22(15-12-16)19(23)20(24,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,16,18,24H,4-5,8-15,21H2/t20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095679
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...)
Show SMILES Oc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
Show InChI InChI=1S/C25H30F2N2O3/c26-24(27)12-9-20(16-24)25(32,19-6-2-1-3-7-19)23(31)28-21-10-13-29(14-11-21)17-18-5-4-8-22(30)15-18/h1-8,15,20-21,30,32H,9-14,16-17H2,(H,28,31)/t20-,25+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129392
PNG
((R)-1-[4-(2-Amino-ethylidene)-piperidin-1-yl]-2-((...)
Show SMILES NCC=C1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C20H26F2N2O2/c21-19(22)10-6-17(14-19)20(26,16-4-2-1-3-5-16)18(25)24-12-8-15(7-11-23)9-13-24/h1-5,7,17,26H,6,8-14,23H2/t17-,20+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129392
PNG
((R)-1-[4-(2-Amino-ethylidene)-piperidin-1-yl]-2-((...)
Show SMILES NCC=C1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C20H26F2N2O2/c21-19(22)10-6-17(14-19)20(26,16-4-2-1-3-5-16)18(25)24-12-8-15(7-11-23)9-13-24/h1-5,7,17,26H,6,8-14,23H2/t17-,20+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129387
PNG
((R)-1-(4-Amino-piperidin-1-yl)-2-cyclopentyl-2-hyd...)
Show SMILES NC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095662
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(3-methyl-benzyl)-pip...)
Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)c1
Show InChI InChI=1S/C26H34N2O2/c1-20-8-7-9-21(18-20)19-28-16-14-24(15-17-28)27-25(29)26(30,23-12-5-6-13-23)22-10-3-2-4-11-22/h2-4,7-11,18,23-24,30H,5-6,12-17,19H2,1H3,(H,27,29)
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1.40n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095657
PNG
((R)-N-[1-(6-Amino-pyridin-2-ylmethyl)-piperidin-4-...)
Show SMILES Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
Show InChI InChI=1S/C24H30F2N4O2/c25-23(26)12-9-18(15-23)24(32,17-5-2-1-3-6-17)22(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,32H,9-16H2,(H2,27,28)(H,29,31)/t18-,24+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095657
PNG
((R)-N-[1-(6-Amino-pyridin-2-ylmethyl)-piperidin-4-...)
Show SMILES Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
Show InChI InChI=1S/C24H30F2N4O2/c25-23(26)12-9-18(15-23)24(32,17-5-2-1-3-6-17)22(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,32H,9-16H2,(H2,27,28)(H,29,31)/t18-,24+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129397
PNG
((R)-1-[4-(2-Amino-ethyl)-4-methyl-piperidin-1-yl]-...)
Show SMILES CC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C21H30F2N2O2/c1-19(9-12-24)10-13-25(14-11-19)18(26)21(27,16-5-3-2-4-6-16)17-7-8-20(22,23)15-17/h2-6,17,27H,7-15,24H2,1H3/t17-,21+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129410
PNG
((R)-1-(4-Aminomethyl-piperidin-1-yl)-2-cyclopentyl...)
Show SMILES NCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C19H28N2O2/c20-14-15-10-12-21(13-11-15)18(22)19(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,15,17,23H,4-5,8-14,20H2/t19-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129410
PNG
((R)-1-(4-Aminomethyl-piperidin-1-yl)-2-cyclopentyl...)
Show SMILES NCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C19H28N2O2/c20-14-15-10-12-21(13-11-15)18(22)19(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,15,17,23H,4-5,8-14,20H2/t19-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095656
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-met...)
Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
Show InChI InChI=1S/C26H32F2N2O2/c1-19-6-5-7-20(16-19)18-30-14-11-23(12-15-30)29-24(31)26(32,21-8-3-2-4-9-21)22-10-13-25(27,28)17-22/h2-9,16,22-23,32H,10-15,17-18H2,1H3,(H,29,31)/t22-,26+/m1/s1
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2n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NMS was determined by receptor binding assay using membranes from chinese hamster ovary (CHO) cells expressing clo...


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129409
PNG
((R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-d...)
Show SMILES NCC1CCN(C1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)8-6-15(10-17)18(24,14-4-2-1-3-5-14)16(23)22-9-7-13(11-21)12-22/h1-5,13,15,24H,6-12,21H2/t13?,15-,18+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095680
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(5-methyl-thiophen-3-...)
Show SMILES Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1
Show InChI InChI=1S/C24H32N2O2S/c1-18-15-19(17-29-18)16-26-13-11-22(12-14-26)25-23(27)24(28,21-9-5-6-10-21)20-7-3-2-4-8-20/h2-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,1H3,(H,25,27)
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2.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129399
PNG
((R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-cyclope...)
Show SMILES NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C20H30N2O2/c21-13-10-16-11-14-22(15-12-16)19(23)20(24,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,16,18,24H,4-5,8-15,21H2/t20-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095662
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(3-methyl-benzyl)-pip...)
Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)c1
Show InChI InChI=1S/C26H34N2O2/c1-20-8-7-9-21(18-20)19-28-16-14-24(15-17-28)27-25(29)26(30,23-12-5-6-13-23)22-10-3-2-4-11-22/h2-4,7-11,18,23-24,30H,5-6,12-17,19H2,1H3,(H,27,29)
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2.30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095670
PNG
(CHEMBL147653 | N-(1-Benzyl-piperidin-4-yl)-2-(3,3-...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30F2N2O2/c26-24(27)14-11-21(17-24)25(31,20-9-5-2-6-10-20)23(30)28-22-12-15-29(16-13-22)18-19-7-3-1-4-8-19/h1-10,21-22,31H,11-18H2,(H,28,30)/t21-,25+/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095685
PNG
(CHEMBL356181 | N-[1-(4-Amino-3-fluoro-benzyl)-pipe...)
Show SMILES Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1F
Show InChI InChI=1S/C25H30F3N3O2/c26-21-14-17(6-7-22(21)29)16-31-12-9-20(10-13-31)30-23(32)25(33,18-4-2-1-3-5-18)19-8-11-24(27,28)15-19/h1-7,14,19-20,33H,8-13,15-16,29H2,(H,30,32)/t19-,25+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095661
PNG
(CHEMBL146464 | N-(1-Benzyl-piperidin-4-yl)-2-cyclo...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H32N2O2/c28-24(25(29,22-13-7-8-14-22)21-11-5-2-6-12-21)26-23-15-17-27(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12,22-23,29H,7-8,13-19H2,(H,26,28)
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2.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095653
PNG
(2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2cccc(F)c2)CC1)c1ccccc1
Show InChI InChI=1S/C25H29F3N2O2/c26-21-8-4-5-18(15-21)17-30-13-10-22(11-14-30)29-23(31)25(32,19-6-2-1-3-7-19)20-9-12-24(27,28)16-20/h1-8,15,20,22,32H,9-14,16-17H2,(H,29,31)/t20-,25+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095661
PNG
(CHEMBL146464 | N-(1-Benzyl-piperidin-4-yl)-2-cyclo...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H32N2O2/c28-24(25(29,22-13-7-8-14-22)21-11-5-2-6-12-21)26-23-15-17-27(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12,22-23,29H,7-8,13-19H2,(H,26,28)
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2.60n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095657
PNG
((R)-N-[1-(6-Amino-pyridin-2-ylmethyl)-piperidin-4-...)
Show SMILES Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
Show InChI InChI=1S/C24H30F2N4O2/c25-23(26)12-9-18(15-23)24(32,17-5-2-1-3-6-17)22(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,32H,9-16H2,(H2,27,28)(H,29,31)/t18-,24+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095657
PNG
((R)-N-[1-(6-Amino-pyridin-2-ylmethyl)-piperidin-4-...)
Show SMILES Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
Show InChI InChI=1S/C24H30F2N4O2/c25-23(26)12-9-18(15-23)24(32,17-5-2-1-3-6-17)22(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,32H,9-16H2,(H2,27,28)(H,29,31)/t18-,24+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129409
PNG
((R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-d...)
Show SMILES NCC1CCN(C1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)8-6-15(10-17)18(24,14-4-2-1-3-5-14)16(23)22-9-7-13(11-21)12-22/h1-5,13,15,24H,6-12,21H2/t13?,15-,18+/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129404
PNG
((R)-1-(4-Amino-piperidin-1-yl)-2-((R)-3,3-difluoro...)
Show SMILES NC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-10-7-15(21)8-11-22/h1-5,14-15,24H,6-12,21H2/t14-,18+/m1/s1
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3n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095653
PNG
(2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2cccc(F)c2)CC1)c1ccccc1
Show InChI InChI=1S/C25H29F3N2O2/c26-21-8-4-5-18(15-21)17-30-13-10-22(11-14-30)29-23(31)25(32,19-6-2-1-3-7-19)20-9-12-24(27,28)16-20/h1-8,15,20,22,32H,9-14,16-17H2,(H,29,31)/t20-,25+/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095664
PNG
(CHEMBL422665 | N-[1-(3-Amino-benzyl)-piperidin-4-y...)
Show SMILES Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
Show InChI InChI=1S/C25H31F2N3O2/c26-24(27)12-9-20(16-24)25(32,19-6-2-1-3-7-19)23(31)29-22-10-13-30(14-11-22)17-18-5-4-8-21(28)15-18/h1-8,15,20,22,32H,9-14,16-17,28H2,(H,29,31)/t20-,25+/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095671
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28F2N2O2S/c24-22(25)10-6-19(14-22)23(29,18-4-2-1-3-5-18)21(28)26-20-7-11-27(12-8-20)15-17-9-13-30-16-17/h1-5,9,13,16,19-20,29H,6-8,10-12,14-15H2,(H,26,28)/t19-,23+/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129397
PNG
((R)-1-[4-(2-Amino-ethyl)-4-methyl-piperidin-1-yl]-...)
Show SMILES CC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C21H30F2N2O2/c1-19(9-12-24)10-13-25(14-11-19)18(26)21(27,16-5-3-2-4-6-16)17-7-8-20(22,23)15-17/h2-6,17,27H,7-15,24H2,1H3/t17-,21+/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095676
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(4-methyl-benzyl)-pip...)
Show SMILES Cc1ccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C26H34N2O2/c1-20-11-13-21(14-12-20)19-28-17-15-24(16-18-28)27-25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23-24,30H,5-6,9-10,15-19H2,1H3,(H,27,29)
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3.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095680
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(5-methyl-thiophen-3-...)
Show SMILES Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1
Show InChI InChI=1S/C24H32N2O2S/c1-18-15-19(17-29-18)16-26-13-11-22(12-14-26)25-23(27)24(28,21-9-5-6-10-21)20-7-3-2-4-8-20/h2-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,1H3,(H,25,27)
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3.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095655
PNG
(CHEMBL343449 | N-[1-(4-Amino-benzyl)-piperidin-4-y...)
Show SMILES Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H31F2N3O2/c26-24(27)13-10-20(16-24)25(32,19-4-2-1-3-5-19)23(31)29-22-11-14-30(15-12-22)17-18-6-8-21(28)9-7-18/h1-9,20,22,32H,10-17,28H2,(H,29,31)/t20-,25+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095675
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-met...)
Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
Show InChI InChI=1S/C26H32F2N2O3/c1-33-23-9-5-6-19(16-23)18-30-14-11-22(12-15-30)29-24(31)26(32,20-7-3-2-4-8-20)21-10-13-25(27,28)17-21/h2-9,16,21-22,32H,10-15,17-18H2,1H3,(H,29,31)/t21-,26+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095677
PNG
(2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-thiophen-3-y...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O2S/c26-22(23(27,20-8-4-5-9-20)19-6-2-1-3-7-19)24-21-10-13-25(14-11-21)16-18-12-15-28-17-18/h1-3,6-7,12,15,17,20-21,27H,4-5,8-11,13-14,16H2,(H,24,26)
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3.60n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129402
PNG
((R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-((R)-3,...)
Show SMILES NCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C20H28F2N2O2/c21-19(22)10-6-17(14-19)20(26,16-4-2-1-3-5-16)18(25)24-12-8-15(7-11-23)9-13-24/h1-5,15,17,26H,6-14,23H2/t17-,20+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095670
PNG
(CHEMBL147653 | N-(1-Benzyl-piperidin-4-yl)-2-(3,3-...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30F2N2O2/c26-24(27)14-11-21(17-24)25(31,20-9-5-2-6-10-20)23(30)28-22-12-15-29(16-13-22)18-19-7-3-1-4-8-19/h1-10,21-22,31H,11-18H2,(H,28,30)/t21-,25+/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50079714
PNG
((R)-2-Cyclopentyl-2-hydroxy-N-[1-(4-methyl-pent-3-...)
Show SMILES CC(C)=CCCN1CCC(CC1)NC(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H36N2O2/c1-19(2)9-8-16-26-17-14-22(15-18-26)25-23(27)24(28,21-12-6-7-13-21)20-10-4-3-5-11-20/h3-5,9-11,21-22,28H,6-8,12-18H2,1-2H3,(H,25,27)/t24-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Muscarinic M3 receptors


Bioorg Med Chem Lett 9: 2037-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00327-3
BindingDB Entry DOI: 10.7270/Q2K64H88
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50079714
PNG
((R)-2-Cyclopentyl-2-hydroxy-N-[1-(4-methyl-pent-3-...)
Show SMILES CC(C)=CCCN1CCC(CC1)NC(=O)[C@@](O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H36N2O2/c1-19(2)9-8-16-26-17-14-22(15-18-26)25-23(27)24(28,21-12-6-7-13-21)20-10-4-3-5-11-20/h3-5,9-11,21-22,28H,6-8,12-18H2,1-2H3,(H,25,27)/t24-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095675
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-met...)
Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
Show InChI InChI=1S/C26H32F2N2O3/c1-33-23-9-5-6-19(16-23)18-30-14-11-22(12-15-30)29-24(31)26(32,20-7-3-2-4-8-20)21-10-13-25(27,28)17-21/h2-9,16,21-22,32H,10-15,17-18H2,1H3,(H,29,31)/t21-,26+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129393
PNG
((R)-1-(4-Amino-4-methyl-piperidin-1-yl)-2-((R)-3,3...)
Show SMILES CC1(N)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C19H26F2N2O2/c1-17(22)9-11-23(12-10-17)16(24)19(25,14-5-3-2-4-6-14)15-7-8-18(20,21)13-15/h2-6,15,25H,7-13,22H2,1H3/t15-,19+/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50129404
PNG
((R)-1-(4-Amino-piperidin-1-yl)-2-((R)-3,3-difluoro...)
Show SMILES NC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-10-7-15(21)8-11-22/h1-5,14-15,24H,6-12,21H2/t14-,18+/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095671
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28F2N2O2S/c24-22(25)10-6-19(14-22)23(29,18-4-2-1-3-5-18)21(28)26-20-7-11-27(12-8-20)15-17-9-13-30-16-17/h1-5,9,13,16,19-20,29H,6-8,10-12,14-15H2,(H,26,28)/t19-,23+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095679
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...)
Show SMILES Oc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
Show InChI InChI=1S/C25H30F2N2O3/c26-24(27)12-9-20(16-24)25(32,19-6-2-1-3-7-19)23(31)28-21-10-13-29(14-11-21)17-18-5-4-8-22(30)15-18/h1-8,15,20-21,30,32H,9-14,16-17H2,(H,28,31)/t20-,25+/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095683
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(3-methoxy-benzyl)-pi...)
Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)c1
Show InChI InChI=1S/C26H34N2O3/c1-31-24-13-7-8-20(18-24)19-28-16-14-23(15-17-28)27-25(29)26(30,22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,7-10,13,18,22-23,30H,5-6,11-12,14-17,19H2,1H3,(H,27,29)
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5.90n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095685
PNG
(CHEMBL356181 | N-[1-(4-Amino-3-fluoro-benzyl)-pipe...)
Show SMILES Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1F
Show InChI InChI=1S/C25H30F3N3O2/c26-21-14-17(6-7-22(21)29)16-31-12-9-20(10-13-31)30-23(32)25(33,18-4-2-1-3-5-18)19-8-11-24(27,28)15-19/h1-7,14,19-20,33H,8-13,15-16,29H2,(H,30,32)/t19-,25+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095654
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-met...)
Show SMILES CC(C)=CCCN1CCC(CC1)NC(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
Show InChI InChI=1S/C24H34F2N2O2/c1-18(2)7-6-14-28-15-11-21(12-16-28)27-22(29)24(30,19-8-4-3-5-9-19)20-10-13-23(25,26)17-20/h3-5,7-9,20-21,30H,6,10-17H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50095676
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(4-methyl-benzyl)-pip...)
Show SMILES Cc1ccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C26H34N2O2/c1-20-11-13-21(14-12-20)19-28-17-15-24(16-18-28)27-25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23-24,30H,5-6,9-10,15-19H2,1H3,(H,27,29)
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6.40n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
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