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Compile Data Set for Download or QSAR

Found 295 hits with Last Name = 'mccombie' and Initial = 'sw'   
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))		BDBM50095105
PNG
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3
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 0.0100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 11: 2311-4 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110523
PNG
(1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...)
Show SMILES C[C@@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H34N2O4S/c1-19-17-27(22-6-4-3-5-7-22)14-15-28(19)20(2)21-8-10-23(11-9-21)33(29,30)24-12-13-25-26(16-24)32-18-31-25/h8-13,16,19-20,22H,3-7,14-15,17-18H2,1-2H3/t19-,20-/m1/s1
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 0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110539
PNG
(1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H34N2O4S/c1-19-17-27(22-6-4-3-5-7-22)14-15-28(19)20(2)21-8-10-23(11-9-21)33(29,30)24-12-13-25-26(16-24)32-18-31-25/h8-13,16,19-20,22H,3-7,14-15,17-18H2,1-2H3/t19-,20+/m1/s1
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 0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110534
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN([C@@H](C)C1)C1CCCCC1
Show InChI InChI=1S/C26H36N2O3S/c1-20-19-27(17-18-28(20)23-7-5-4-6-8-23)21(2)22-9-13-25(14-10-22)32(29,30)26-15-11-24(31-3)12-16-26/h9-16,20-21,23H,4-8,17-19H2,1-3H3/t20-,21+/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121132
PNG
((4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H38N2O7S/c1-24-4-2-3-5-30(24)33(37)36-18-14-27(15-19-36)35-16-12-26(13-17-35)34(42-20-21-43-34)25-6-8-28(9-7-25)44(38,39)29-10-11-31-32(22-29)41-23-40-31/h2-11,22,26-27H,12-21,23H2,1H3
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 0.0650n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110543
PNG
(CHEMBL167396 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C38H41N3O6S/c1-27-25-40(30-18-20-39(21-19-30)38(42)34-10-6-7-11-35(34)47-31-8-4-3-5-9-31)22-23-41(27)28(2)29-12-14-32(15-13-29)48(43,44)33-16-17-36-37(24-33)46-26-45-36/h3-17,24,27-28,30H,18-23,25-26H2,1-2H3/t27-,28+/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110551
PNG
(CHEMBL352291 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1cccc2OCOc12)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H37N3O7S/c1-22-19-35(25-12-14-34(15-13-25)33(37)28-4-3-5-30-32(28)43-21-41-30)16-17-36(22)23(2)24-6-8-26(9-7-24)44(38,39)27-10-11-29-31(18-27)42-20-40-29/h3-11,18,22-23,25H,12-17,19-21H2,1-2H3/t22-,23+/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110555
PNG
(CHEMBL164935 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES COc1ccccc1C(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C33H39N3O6S/c1-23-21-35(26-14-16-34(17-15-26)33(37)29-6-4-5-7-30(29)40-3)18-19-36(23)24(2)25-8-10-27(11-9-25)43(38,39)28-12-13-31-32(20-28)42-22-41-31/h4-13,20,23-24,26H,14-19,21-22H2,1-3H3/t23-,24+/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110557
PNG
(CHEMBL352380 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36ClN3O5S/c1-22-20-35(25-13-15-34(16-14-25)32(37)28-5-3-4-6-29(28)33)17-18-36(22)23(2)24-7-9-26(10-8-24)42(38,39)27-11-12-30-31(19-27)41-21-40-30/h3-12,19,22-23,25H,13-18,20-21H2,1-2H3/t22-,23+/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110537
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN([C@H](C)C1)C1CCCCC1
Show InChI InChI=1S/C26H36N2O3S/c1-20-19-27(17-18-28(20)23-7-5-4-6-8-23)21(2)22-9-13-25(14-10-22)32(29,30)26-15-11-24(31-3)12-16-26/h9-16,20-21,23H,4-8,17-19H2,1-3H3/t20-,21-/m1/s1
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 0.140n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50103771
PNG
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C37H40N2O6S/c1-43-31-11-15-33(16-12-31)46(41,42)32-13-9-28(10-14-32)37(44-25-26-45-37)29-17-21-38(22-18-29)30-19-23-39(24-20-30)36(40)35-8-4-6-27-5-2-3-7-34(27)35/h2-16,29-30H,17-26H2,1H3
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 0.140n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 11: 2311-4 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110538
PNG
(4-Cyclohexyl-1-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN(C[C@H]1C)C1CCCCC1
Show InChI InChI=1S/C26H36N2O3S/c1-20-19-27(23-7-5-4-6-8-23)17-18-28(20)21(2)22-9-13-25(14-10-22)32(29,30)26-15-11-24(31-3)12-16-26/h9-16,20-21,23H,4-8,17-19H2,1-3H3/t20-,21-/m1/s1
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 0.150n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110536
PNG
((4-Cyclohexyl-2-methyl-piperazin-1-yl)-[4-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(C[C@H]1C)C1CCCCC1
Show InChI InChI=1S/C26H33N3O3S/c1-20-19-28(22-6-4-3-5-7-22)16-17-29(20)26(18-27)21-8-12-24(13-9-21)33(30,31)25-14-10-23(32-2)11-15-25/h8-15,20,22,26H,3-7,16-17,19H2,1-2H3/t20-,26?/m1/s1
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 0.160n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against cloned human Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110528
PNG
(1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C28H39N3O6S2/c1-4-17-38(32,33)30-13-11-24(12-14-30)29-15-16-31(21(2)19-29)22(3)23-5-7-25(8-6-23)39(34,35)26-9-10-27-28(18-26)37-20-36-27/h5-10,18,21-22,24H,4,11-17,19-20H2,1-3H3/t21-,22+/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110529
PNG
(1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C29H41N3O6S2/c1-4-5-18-39(33,34)31-14-12-25(13-15-31)30-16-17-32(22(2)20-30)23(3)24-6-8-26(9-7-24)40(35,36)27-10-11-28-29(19-27)38-21-37-28/h6-11,19,22-23,25H,4-5,12-18,20-21H2,1-3H3/t22-,23+/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110540
PNG
(Benzoic acid 2-[4-((R)-4-{(S)-1-[4-(benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1COC(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C40H43N3O7S/c1-28-25-42(22-23-43(28)29(2)30-12-14-34(15-13-30)51(46,47)35-16-17-37-38(24-35)50-27-49-37)33-18-20-41(21-19-33)39(44)36-11-7-6-10-32(36)26-48-40(45)31-8-4-3-5-9-31/h3-17,24,28-29,33H,18-23,25-27H2,1-2H3/t28-,29+/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110546
PNG
(CHEMBL165377 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H39N3O5S/c1-23-6-4-5-7-30(23)33(37)34-16-14-27(15-17-34)35-18-19-36(24(2)21-35)25(3)26-8-10-28(11-9-26)42(38,39)29-12-13-31-32(20-29)41-22-40-31/h4-13,20,24-25,27H,14-19,21-22H2,1-3H3/t24-,25+/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50103774
PNG
((5-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cccc12
Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-10-14-31(15-11-29)47(42,43)30-12-8-26(9-13-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-6-2-5-33-32(34)4-3-7-35(33)38/h2-15,27-28H,16-25H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 11: 2311-4 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50305990
PNG
(CHEMBL596388 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Show SMILES CCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H23ClF4N2O6S3/c1-2-20(14-27-37(33,34)21(24,25)26)9-11-28(12-10-20)36(31,32)18-8-7-15(22)13-19(18)35(29,30)17-6-4-3-5-16(17)23/h3-8,13,27H,2,9-12,14H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor

Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50103772
PNG
((5,7-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cc(F)cc12
Show InChI InChI=1S/C37H38F2N2O6S/c1-45-29-7-11-31(12-8-29)48(43,44)30-9-5-25(6-10-30)37(46-21-22-47-37)26-13-17-40(18-14-26)28-15-19-41(20-16-28)36(42)33-4-2-3-32-34(33)23-27(38)24-35(32)39/h2-12,23-24,26,28H,13-22H2,1H3
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 0.230n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 11: 2311-4 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50103767
PNG
((5,8-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)ccc(F)c12
Show InChI InChI=1S/C37H38F2N2O6S/c1-45-28-7-11-30(12-8-28)48(43,44)29-9-5-25(6-10-29)37(46-23-24-47-37)26-15-19-40(20-16-26)27-17-21-41(22-18-27)36(42)32-4-2-3-31-33(38)13-14-34(39)35(31)32/h2-14,26-27H,15-24H2,1H3
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 0.290n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 11: 2311-4 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110553
PNG
(CHEMBL349142 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H35Cl2N3O5S/c1-21-19-36(25-11-13-35(14-12-25)32(38)28-9-5-24(33)17-29(28)34)15-16-37(21)22(2)23-3-6-26(7-4-23)43(39,40)27-8-10-30-31(18-27)42-20-41-30/h3-10,17-18,21-22,25H,11-16,19-20H2,1-2H3/t21-,22+/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110524
PNG
(4-Cyclohexyl-1-[4-(4-methoxy-benzenesulfonyl)-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCN(C[C@H]2C)C2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O3S/c1-20-18-27(22-6-4-3-5-7-22)17-16-26(20)19-21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3/t20-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110542
PNG
(CHEMBL167816 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1sccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H34ClN3O5S2/c1-20-18-33(23-9-12-32(13-10-23)30(35)29-26(31)11-16-40-29)14-15-34(20)21(2)22-3-5-24(6-4-22)41(36,37)25-7-8-27-28(17-25)39-19-38-27/h3-8,11,16-17,20-21,23H,9-10,12-15,18-19H2,1-2H3/t20-,21+/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110532
PNG
(4-Cyclohexyl-1-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCCCC1
Show InChI InChI=1S/C26H36N2O3S/c1-20-19-27(23-7-5-4-6-8-23)17-18-28(20)21(2)22-9-13-25(14-10-22)32(29,30)26-15-11-24(31-3)12-16-26/h9-16,20-21,23H,4-8,17-19H2,1-3H3/t20-,21+/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121130
PNG
((2-Amino-3-methyl-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
Show InChI InChI=1S/C34H41N3O6S/c1-24-4-3-5-31(32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23,35H2,1-2H3
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 0.390n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50305989
PNG
(CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-19(13-26-36(32,33)20(23,24)25)8-10-27(11-9-19)35(30,31)17-7-6-14(21)12-18(17)34(28,29)16-5-3-2-4-15(16)22/h2-7,12,26H,8-11,13H2,1H3
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 0.390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor

Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110547
PNG
(CHEMBL165035 | [4-((R)-3-Methyl-4-{(S)-1-[4-(tolue...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C33H41N3O3S/c1-24-8-7-10-31(22-24)40(38,39)30-14-12-28(13-15-30)27(4)36-21-20-35(23-26(36)3)29-16-18-34(19-17-29)33(37)32-11-6-5-9-25(32)2/h5-15,22,26-27,29H,16-21,23H2,1-4H3/t26-,27+/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121134
PNG
((3-Amino-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C
Show InChI InChI=1S/C34H41N3O6S/c1-24-31(4-3-5-32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23,35H2,1-2H3
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 0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121126
PNG
((2-Amino-4-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)cc1N
Show InChI InChI=1S/C33H38FN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-11-4-25(34)22-31(30)35/h2-11,22,24,26H,12-21,35H2,1H3
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 0.440n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110550
PNG
((2-Amino-phenyl)-[4-((R)-4-{(S)-1-[4-(benzo[1,3]di...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H38N4O5S/c1-22-20-35(25-13-15-34(16-14-25)32(37)28-5-3-4-6-29(28)33)17-18-36(22)23(2)24-7-9-26(10-8-24)42(38,39)27-11-12-30-31(19-27)41-21-40-30/h3-12,19,22-23,25H,13-18,20-21,33H2,1-2H3/t22-,23+/m1/s1
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 0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50103768
PNG
((5-Bromo-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(Br)cccc12
Show InChI InChI=1S/C37H39BrN2O6S/c1-44-29-10-14-31(15-11-29)47(42,43)30-12-8-26(9-13-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-6-2-5-33-32(34)4-3-7-35(33)38/h2-15,27-28H,16-25H2,1H3
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 0.510n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 11: 2311-4 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50103773
PNG
((4-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)c2ccccc12
Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-8-12-31(13-9-29)47(42,43)30-10-6-26(7-11-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-14-15-35(38)33-5-3-2-4-32(33)34/h2-15,27-28H,16-25H2,1H3
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 0.510n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 11: 2311-4 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121138
PNG
((2-Amino-3-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(F)c1N
Show InChI InChI=1S/C33H38FN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(34)31(29)35/h2-12,24-25H,13-22,35H2,1H3
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 0.510n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121139
PNG
((5-Amino-2-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(N)ccc1Cl
Show InChI InChI=1S/C33H38ClN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-22-25(35)4-11-31(30)34/h2-11,22,24,26H,12-21,35H2,1H3
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 0.530n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121127
PNG
((3-Amino-2-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1Cl
Show InChI InChI=1S/C33H38ClN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(35)31(29)34/h2-12,24-25H,13-22,35H2,1H3
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 0.530n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121124
PNG
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C34H40N2O6S/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(41-23-24-42-34)26-7-11-30(12-8-26)43(38,39)31-13-9-29(40-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3
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 0.540n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110556
PNG
(CHEMBL354534 | [4-((R)-4-{(S)-1-[4-(2,4-Dimethoxy-...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C34H43N3O5S/c1-24-8-6-7-9-31(24)34(38)35-18-16-28(17-19-35)36-20-21-37(25(2)23-36)26(3)27-10-13-30(14-11-27)43(39,40)33-15-12-29(41-4)22-32(33)42-5/h6-15,22,25-26,28H,16-21,23H2,1-5H3/t25-,26+/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110530
PNG
(CHEMBL349720 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H37N3O5S/c1-23-21-34(27-14-16-33(17-15-27)32(36)26-6-4-3-5-7-26)18-19-35(23)24(2)25-8-10-28(11-9-25)41(37,38)29-12-13-30-31(20-29)40-22-39-30/h3-13,20,23-24,27H,14-19,21-22H2,1-2H3/t23-,24+/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50092996
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
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 0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50306002
PNG
(CHEMBL595705 | N-(6-(5-chloro-2-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22ClF3N2O7S3/c1-34-15-3-5-16(6-4-15)35(28,29)17-7-2-14(22)12-18(17)36(30,31)27-10-8-20(9-11-27)13-19(20)26-37(32,33)21(23,24)25/h2-7,12,19,26H,8-11,13H2,1H3
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 0.650n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor

Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121125
PNG
((2-Amino-5-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(F)ccc1N
Show InChI InChI=1S/C33H38FN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-22-25(34)4-11-31(30)35/h2-11,22,24,26H,12-21,35H2,1H3
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 0.680n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50211605
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H16ClF4NO6S3/c1-13(27-36(32,33)21(24,25)26)14-6-9-16(10-7-14)34(28,29)19-11-8-15(22)12-20(19)35(30,31)18-5-3-2-4-17(18)23/h2-13,27H,1H3/t13-/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor

Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110527
PNG
((R)-1-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phe...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C27H37N3O6S2/c1-4-37(31,32)29-13-11-23(12-14-29)28-15-16-30(20(2)18-28)21(3)22-5-7-24(8-6-22)38(33,34)25-9-10-26-27(17-25)36-19-35-26/h5-10,17,20-21,23H,4,11-16,18-19H2,1-3H3/t20-,21+/m1/s1
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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 human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123438
PNG
((3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121131
PNG
((3-Chloro-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-ben...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(Cl)c1C
Show InChI InChI=1S/C34H39ClN2O6S/c1-24-31(4-3-5-32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23H2,1-2H3
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 0.720n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50121144
PNG
((3-Amino-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1
Show InChI InChI=1S/C33H39N3O6S/c1-40-29-7-11-31(12-8-29)43(38,39)30-9-5-25(6-10-30)33(41-21-22-42-33)26-13-17-35(18-14-26)28-15-19-36(20-16-28)32(37)24-3-2-4-27(34)23-24/h2-12,23,26,28H,13-22,34H2,1H3
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 0.780n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2

Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110559
PNG
(CHEMBL110744 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H35Cl2N3O5S/c1-21-19-36(25-11-13-35(14-12-25)32(38)24-5-9-28(33)29(34)17-24)15-16-37(21)22(2)23-3-6-26(7-4-23)43(39,40)27-8-10-30-31(18-27)42-20-41-30/h3-10,17-18,21-22,25H,11-16,19-20H2,1-2H3/t21-,22+/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50103087
PNG
(CHEMBL305026 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26+/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand

Bioorg Med Chem Lett 12: 795-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50110531
PNG
(4-(1-Benzenesulfonyl-piperidin-4-yl)-1-{1-[4-(benz...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H37N3O6S2/c1-23-21-32(26-14-16-33(17-15-26)42(37,38)28-6-4-3-5-7-28)18-19-34(23)24(2)25-8-10-27(11-9-25)41(35,36)29-12-13-30-31(20-29)40-22-39-30/h3-13,20,23-24,26H,14-19,21-22H2,1-2H3/t23-,24+/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
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