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PubMed code 11909724

Compile data set for download or QSAR
Found 35 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 M2


(Homo sapiens (Human))		BDBM50111336
PNG
(CHEMBL11892 | {4-[1'-(Naphthalene-1-carbonyl)-[1,4...)
Show SMILES COC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H36N2O3S/c1-36-30(34)22-37-27-11-9-23(10-12-27)21-24-13-17-32(18-14-24)26-15-19-33(20-16-26)31(35)29-8-4-6-25-5-2-3-7-28(25)29/h2-12,24,26H,13-22H2,1H3
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 0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111346
PNG
((2-Amino-3-methyl-phenyl)-{4-[4-(3-chloro-benzenes...)
Show SMILES Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
Show InChI InChI=1S/C31H36ClN3O3S/c1-22-4-2-7-29(30(22)33)31(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-23-8-10-27(11-9-23)39(37,38)28-6-3-5-25(32)21-28/h2-11,21,24,26H,12-20,33H2,1H3
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 0.890n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111332
PNG
(CHEMBL276239 | [4-(4-Isopropylsulfanyl-benzyl)-[1,...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H38N2OS/c1-23(2)35-28-12-10-24(11-13-28)22-25-14-18-32(19-15-25)27-16-20-33(21-17-27)31(34)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,23,25,27H,14-22H2,1-2H3
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 0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111356
PNG
(CHEMBL11756 | [4-(4-Isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ncccc23)cc1
Show InChI InChI=1S/C30H37N3OS/c1-22(2)35-26-10-8-23(9-11-26)21-24-12-17-32(18-13-24)25-14-19-33(20-15-25)30(34)28-5-3-7-29-27(28)6-4-16-31-29/h3-11,16,22,24-25H,12-15,17-21H2,1-2H3
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 1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111353
PNG
(CHEMBL418530 | {4-[1'-(6-Ethoxy-naphthalene-1-carb...)
Show SMILES CCOC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cc(OCC)ccc23)cc1
Show InChI InChI=1S/C34H42N2O4S/c1-3-39-29-10-13-31-27(23-29)6-5-7-32(31)34(38)36-20-16-28(17-21-36)35-18-14-26(15-19-35)22-25-8-11-30(12-9-25)41-24-33(37)40-4-2/h5-13,23,26,28H,3-4,14-22,24H2,1-2H3
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 2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111330
PNG
(CHEMBL12354 | {4-[1'-(7-Fluoro-naphthalene-1-carbo...)
Show SMILES COC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccc(F)cc23)cc1
Show InChI InChI=1S/C31H35FN2O3S/c1-37-30(35)21-38-27-9-5-22(6-10-27)19-23-11-15-33(16-12-23)26-13-17-34(18-14-26)31(36)28-4-2-3-24-7-8-25(32)20-29(24)28/h2-10,20,23,26H,11-19,21H2,1H3
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 4.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111329
PNG
((6-Isopropoxy-naphthalen-1-yl)-[4-(4-isopropylsulf...)
Show SMILES CC(C)Oc1ccc2c(cccc2c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
Show InChI InChI=1S/C34H44N2O2S/c1-24(2)38-30-10-13-32-28(23-30)6-5-7-33(32)34(37)36-20-16-29(17-21-36)35-18-14-27(15-19-35)22-26-8-11-31(12-9-26)39-25(3)4/h5-13,23-25,27,29H,14-22H2,1-4H3
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 6.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111340
PNG
((7-Fluoro-naphthalen-1-yl)-[4-(4-isopropylsulfanyl...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccc(F)cc23)cc1
Show InChI InChI=1S/C31H37FN2OS/c1-22(2)36-28-10-6-23(7-11-28)20-24-12-16-33(17-13-24)27-14-18-34(19-15-27)31(35)29-5-3-4-25-8-9-26(32)21-30(25)29/h3-11,21-22,24,27H,12-20H2,1-2H3
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 8.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111324
PNG
(CHEMBL12542 | [4-(4-Isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2nccc3ccccc23)cc1
Show InChI InChI=1S/C30H37N3OS/c1-22(2)35-27-9-7-23(8-10-27)21-24-12-17-32(18-13-24)26-14-19-33(20-15-26)30(34)29-28-6-4-3-5-25(28)11-16-31-29/h3-11,16,22,24,26H,12-15,17-21H2,1-2H3
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 11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111337
PNG
(CHEMBL11816 | N,N-Dimethyl-2-{4-[1'-(naphthalene-1...)
Show SMILES CN(C)C(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C32H39N3O2S/c1-33(2)31(36)23-38-28-12-10-24(11-13-28)22-25-14-18-34(19-15-25)27-16-20-35(21-17-27)32(37)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,25,27H,14-23H2,1-2H3
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 12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111335
PNG
((6-Ethoxy-naphthalen-1-yl)-[4-(4-isopropylsulfanyl...)
Show SMILES CCOc1ccc2c(cccc2c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
Show InChI InChI=1S/C33H42N2O2S/c1-4-37-29-10-13-31-27(23-29)6-5-7-32(31)33(36)35-20-16-28(17-21-35)34-18-14-26(15-19-34)22-25-8-11-30(12-9-25)38-24(2)3/h5-13,23-24,26,28H,4,14-22H2,1-3H3
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 14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111348
PNG
(CHEMBL12150 | Naphthalen-1-yl-{4-[4-(propane-2-sul...)
Show SMILES CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H38N2O3S/c1-23(2)37(35,36)28-12-10-24(11-13-28)22-25-14-18-32(19-15-25)27-16-20-33(21-17-27)31(34)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,23,25,27H,14-22H2,1-2H3
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 17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111328
PNG
(2-{4-[1'-(Naphthalene-1-carbonyl)-[1,4']bipiperidi...)
Show SMILES NC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H35N3O2S/c31-29(34)21-36-26-10-8-22(9-11-26)20-23-12-16-32(17-13-23)25-14-18-33(19-15-25)30(35)28-7-3-5-24-4-1-2-6-27(24)28/h1-11,23,25H,12-21H2,(H2,31,34)
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 18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111327
PNG
(CHEMBL11794 | [4-(4-Isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccnc3ccccc23)cc1
Show InChI InChI=1S/C30H37N3OS/c1-22(2)35-26-9-7-23(8-10-26)21-24-12-17-32(18-13-24)25-14-19-33(20-15-25)30(34)28-11-16-31-29-6-4-3-5-27(28)29/h3-11,16,22,24-25H,12-15,17-21H2,1-2H3
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 20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111350
PNG
((2-Amino-3-methyl-phenyl)-[4-(4-isopropylsulfanyl-...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
Show InChI InChI=1S/C28H39N3OS/c1-20(2)33-25-9-7-22(8-10-25)19-23-11-15-30(16-12-23)24-13-17-31(18-14-24)28(32)26-6-4-5-21(3)27(26)29/h4-10,20,23-24H,11-19,29H2,1-3H3
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 20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111352
PNG
((4-Fluoro-naphthalen-1-yl)-[4-(4-isopropylsulfanyl...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
Show InChI InChI=1S/C31H37FN2OS/c1-22(2)36-26-9-7-23(8-10-26)21-24-13-17-33(18-14-24)25-15-19-34(20-16-25)31(35)29-11-12-30(32)28-6-4-3-5-27(28)29/h3-12,22,24-25H,13-21H2,1-2H3
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 22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111345
PNG
((6-Fluoro-naphthalen-1-yl)-[4-(4-isopropylsulfanyl...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cc(F)ccc23)cc1
Show InChI InChI=1S/C31H37FN2OS/c1-22(2)36-28-9-6-23(7-10-28)20-24-12-16-33(17-13-24)27-14-18-34(19-15-27)31(35)30-5-3-4-25-21-26(32)8-11-29(25)30/h3-11,21-22,24,27H,12-20H2,1-2H3
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 22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111341
PNG
(CHEMBL275347 | {4-[4-(2-Hydroxy-ethylsulfanyl)-ben...)
Show SMILES OCCSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c33-20-21-35-27-10-8-23(9-11-27)22-24-12-16-31(17-13-24)26-14-18-32(19-15-26)30(34)29-7-3-5-25-4-1-2-6-28(25)29/h1-11,24,26,33H,12-22H2
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 26n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111351
PNG
(CHEMBL11690 | {4-[1'-(Naphthalene-1-carbonyl)-[1,4...)
Show SMILES CCOC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C32H38N2O3S/c1-2-37-31(35)23-38-28-12-10-24(11-13-28)22-25-14-18-33(19-15-25)27-16-20-34(21-17-27)32(36)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,25,27H,2,14-23H2,1H3
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 40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111343
PNG
(CHEMBL12419 | {4-[1'-(Naphthalene-1-carbonyl)-[1,4...)
Show SMILES CC(C)OC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C33H40N2O3S/c1-24(2)38-32(36)23-39-29-12-10-25(11-13-29)22-26-14-18-34(19-15-26)28-16-20-35(21-17-28)33(37)31-9-5-7-27-6-3-4-8-30(27)31/h3-13,24,26,28H,14-23H2,1-2H3
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 48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111358
PNG
((2-Amino-3-methyl-phenyl)-{4-[4-(propane-2-sulfony...)
Show SMILES CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
Show InChI InChI=1S/C28H39N3O3S/c1-20(2)35(33,34)25-9-7-22(8-10-25)19-23-11-15-30(16-12-23)24-13-17-31(18-14-24)28(32)26-6-4-5-21(3)27(26)29/h4-10,20,23-24H,11-19,29H2,1-3H3
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 104n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111333
PNG
(CHEMBL12215 | [4-(4-Isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
Show InChI InChI=1S/C28H38N2O2S/c1-21(2)33-27-10-4-22(5-11-27)20-23-12-16-29(17-13-23)25-14-18-30(19-15-25)28(31)24-6-8-26(32-3)9-7-24/h4-11,21,23,25H,12-20H2,1-3H3
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 108n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111349
PNG
(4-[4-(4-Isopropylsulfanyl-benzyl)-[1,4']bipiperidi...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C27H37N3O3S2/c1-20(2)34-25-7-3-21(4-8-25)19-22-11-15-29(16-12-22)24-13-17-30(18-14-24)27(31)23-5-9-26(10-6-23)35(28,32)33/h3-10,20,22,24H,11-19H2,1-2H3,(H2,28,32,33)
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 129n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111357
PNG
(CHEMBL269645 | [4-(4-Isopropylsulfanyl-benzyl)-[1,...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccno2)cc1
Show InChI InChI=1S/C24H33N3O2S/c1-18(2)30-22-5-3-19(4-6-22)17-20-8-13-26(14-9-20)21-10-15-27(16-11-21)24(28)23-7-12-25-29-23/h3-7,12,18,20-21H,8-11,13-17H2,1-2H3
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 134n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111334
PNG
((2,4-Dichloro-phenyl)-[4-(4-isopropylsulfanyl-benz...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C27H34Cl2N2OS/c1-19(2)33-24-6-3-20(4-7-24)17-21-9-13-30(14-10-21)23-11-15-31(16-12-23)27(32)25-8-5-22(28)18-26(25)29/h3-8,18-19,21,23H,9-17H2,1-2H3
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 134n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111342
PNG
((2-Chloro-phenyl)-[4-(4-isopropylsulfanyl-benzyl)-...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C27H35ClN2OS/c1-20(2)32-24-9-7-21(8-10-24)19-22-11-15-29(16-12-22)23-13-17-30(18-14-23)27(31)25-5-3-4-6-26(25)28/h3-10,20,22-23H,11-19H2,1-2H3
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 192n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111331
PNG
((2-Chloro-6-methoxy-phenyl)-[4-(4-isopropylsulfany...)
Show SMILES COc1cccc(Cl)c1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
Show InChI InChI=1S/C28H37ClN2O2S/c1-20(2)34-24-9-7-21(8-10-24)19-22-11-15-30(16-12-22)23-13-17-31(18-14-23)28(32)27-25(29)5-4-6-26(27)33-3/h4-10,20,22-23H,11-19H2,1-3H3
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 237n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111339
PNG
(CHEMBL273439 | [4-(4-Isopropylsulfanyl-benzyl)-[1,...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C31H38N2OS/c1-23(2)35-30-11-7-24(8-12-30)21-25-13-17-32(18-14-25)29-15-19-33(20-16-29)31(34)28-10-9-26-5-3-4-6-27(26)22-28/h3-12,22-23,25,29H,13-21H2,1-2H3
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 241n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111326
PNG
(Biphenyl-2-yl-[4-(4-isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C33H40N2OS/c1-25(2)37-30-14-12-26(13-15-30)24-27-16-20-34(21-17-27)29-18-22-35(23-19-29)33(36)32-11-7-6-10-31(32)28-8-4-3-5-9-28/h3-15,25,27,29H,16-24H2,1-2H3
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 250n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111354
PNG
(CHEMBL12029 | [4-(4-Isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnccn2)cc1
Show InChI InChI=1S/C25H34N4OS/c1-19(2)31-23-5-3-20(4-6-23)17-21-7-13-28(14-8-21)22-9-15-29(16-10-22)25(30)24-18-26-11-12-27-24/h3-6,11-12,18-19,21-22H,7-10,13-17H2,1-2H3
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 254n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111344
PNG
(CHEMBL12268 | [4-(4-Isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C30H37N3OS/c1-22(2)35-27-10-8-23(9-11-27)21-24-12-17-32(18-13-24)26-14-19-33(20-15-26)30(34)28-7-3-5-25-6-4-16-31-29(25)28/h3-11,16,22,24,26H,12-15,17-21H2,1-2H3
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 256n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111347
PNG
(CHEMBL12112 | Cinnolin-4-yl-[4-(4-isopropylsulfany...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnnc3ccccc23)cc1
Show InChI InChI=1S/C29H36N4OS/c1-21(2)35-25-9-7-22(8-10-25)19-23-11-15-32(16-12-23)24-13-17-33(18-14-24)29(34)27-20-30-31-28-6-4-3-5-26(27)28/h3-10,20-21,23-24H,11-19H2,1-2H3
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 256n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111325
PNG
((2-Fluoro-phenyl)-[4-(4-isopropylsulfanyl-benzyl)-...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C27H35FN2OS/c1-20(2)32-24-9-7-21(8-10-24)19-22-11-15-29(16-12-22)23-13-17-30(18-14-23)27(31)25-5-3-4-6-26(25)28/h3-10,20,22-23H,11-19H2,1-2H3
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 260n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111338
PNG
(CHEMBL11947 | Furan-2-yl-[4-(4-isopropylsulfanyl-b...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccco2)cc1
Show InChI InChI=1S/C25H34N2O2S/c1-19(2)30-23-7-5-20(6-8-23)18-21-9-13-26(14-10-21)22-11-15-27(16-12-22)25(28)24-4-3-17-29-24/h3-8,17,19,21-22H,9-16,18H2,1-2H3
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 923n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50111355
PNG
(CHEMBL11710 | {4-[1'-(Naphthalene-1-carbonyl)-[1,4...)
Show SMILES OC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H34N2O3S/c33-29(34)21-36-26-10-8-22(9-11-26)20-23-12-16-31(17-13-23)25-14-18-32(19-15-25)30(35)28-7-3-5-24-4-1-2-6-27(24)28/h1-11,23,25H,12-21H2,(H,33,34)
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 1.50E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.

Bioorg Med Chem Lett 12: 1087-91 (2002)


BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%