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Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'gelbcke' and Initial = 'm'   
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 M3


(Homo sapiens (Human))
BDBM50403947
PNG
(CHEMBL85996)
Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H24BrClN2O/c26-21-8-12-23(13-9-21)29(25(30)20-6-10-22(27)11-7-20)24-14-16-28(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2
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0.794n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432574
PNG
(CHEMBL2347169)
Show SMILES NCCSCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2S/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-6-17-7-5-15/h3-4,8-9,16H,1-2,5-7,15H2
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0.900n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403940
PNG
(CHEMBL85892)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
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1n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403944
PNG
(CHEMBL84993)
Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25ClN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
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1.30n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403945
PNG
(CHEMBL314831)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)C1CCC1
Show InChI InChI=1S/C23H27BrN2O/c24-20-9-11-21(12-10-20)26(23(27)19-7-4-8-19)22-13-15-25(16-14-22)17-18-5-2-1-3-6-18/h1-3,5-6,9-12,19,22H,4,7-8,13-17H2
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1.60n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403942
PNG
(CHEMBL310132)
Show SMILES Clc1ccc(cc1Cl)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24Cl2N2O/c26-23-12-11-22(17-24(23)27)29(25(30)20-9-5-2-6-10-20)21-13-15-28(16-14-21)18-19-7-3-1-4-8-19/h1-12,17,21H,13-16,18H2
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2n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403943
PNG
(CHEMBL82512)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C23H23BrN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2
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2n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432575
PNG
(CHEMBL2347168)
Show SMILES NCCSCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2S/c13-10-1-2-12-11(7-10)9(8-15-12)3-5-16-6-4-14/h1-2,7-8,15H,3-6,14H2
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2.30n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403946
PNG
(CHEMBL83982)
Show SMILES Oc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24-13-11-22(12-14-24)27(25(29)21-9-5-2-6-10-21)23-15-17-26(18-16-23)19-20-7-3-1-4-8-20/h1-14,23,28H,15-19H2
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2.5n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403948
PNG
(CHEMBL82859)
Show SMILES COc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O2/c1-30-25-14-12-23(13-15-25)28(26(29)22-10-6-3-7-11-22)24-16-18-27(19-17-24)20-21-8-4-2-5-9-21/h2-15,24H,16-20H2,1H3
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4n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403939
PNG
(CHEMBL85391)
Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C23H23ClN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2
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4n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403940
PNG
(CHEMBL85892)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
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5n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50403941
PNG
(CHEMBL83459)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrN3O3S/c24-18-6-8-19(9-7-18)26(23(28)21-10-11-22(31-21)27(29)30)20-12-14-25(15-13-20)16-17-4-2-1-3-5-17/h1-11,20H,12-16H2
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7.90n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403944
PNG
(CHEMBL84993)
Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25ClN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
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7.90n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432580
PNG
(CHEMBL2347032)
Show SMILES NCCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2
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8n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432577
PNG
(CHEMBL2347166)
Show SMILES OCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2O/c13-10-1-2-12-11(7-10)9(8-15-12)3-4-14-5-6-16/h1-2,7-8,14-16H,3-6H2
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10n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432570
PNG
(CHEMBL2347175)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C14H19FN2O2S/c1-3-17(20(2,18)19)8-4-5-11-10-16-14-7-6-12(15)9-13(11)14/h6-7,9-10,16H,3-5,8H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432567
PNG
(CHEMBL2347178)
Show SMILES NCC(N)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H16FN3/c13-9-2-4-12-11(5-9)8(7-16-12)1-3-10(15)6-14/h2,4-5,7,10,16H,1,3,6,14-15H2
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12n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220556
PNG
(CHEMBL83363)
Show SMILES O=C(C1CCC1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23(20-10-7-11-20)25(21-12-5-2-6-13-21)22-14-16-24(17-15-22)18-19-8-3-1-4-9-19/h1-6,8-9,12-13,20,22H,7,10-11,14-18H2
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16n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403947
PNG
(CHEMBL85996)
Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H24BrClN2O/c26-21-8-12-23(13-9-21)29(25(30)20-6-10-22(27)11-7-20)24-14-16-28(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2
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20n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432569
PNG
(CHEMBL2347176)
Show SMILES ONCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2O/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14-15/h3-4,6-7,13-15H,1-2,5H2
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20n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403942
PNG
(CHEMBL310132)
Show SMILES Clc1ccc(cc1Cl)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24Cl2N2O/c26-23-12-11-22(17-24(23)27)29(25(30)20-9-5-2-6-10-20)21-13-15-28(16-14-21)18-19-7-3-1-4-8-19/h1-12,17,21H,13-16,18H2
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20n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403945
PNG
(CHEMBL314831)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)C1CCC1
Show InChI InChI=1S/C23H27BrN2O/c24-20-9-11-21(12-10-20)26(23(27)19-7-4-8-19)22-13-15-25(16-14-22)17-18-5-2-1-3-6-18/h1-3,5-6,9-12,19,22H,4,7-8,13-17H2
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20n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432573
PNG
(CHEMBL2347170)
Show SMILES NCCSCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H15FN2S/c13-11-3-1-2-10-9(8-15-12(10)11)4-6-16-7-5-14/h1-3,8,15H,4-7,14H2
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24n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432581
PNG
(CHEMBL2347030)
Show SMILES NCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2
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24n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403943
PNG
(CHEMBL82512)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C23H23BrN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2
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25n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220523
PNG
(CHEMBL88078)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C23H24N2OS/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2
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25n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220522
PNG
(CHEMBL86012)
Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H25ClN2O/c26-22-13-11-21(12-14-22)25(29)28(23-9-5-2-6-10-23)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
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25n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220521
PNG
(CHEMBL87302)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N2O/c28-25(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)24-16-18-26(19-17-24)20-21-10-4-1-5-11-21/h1-15,24H,16-20H2
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25n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220555
PNG
(CHEMBL86309)
Show SMILES O=C(Cc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O/c29-26(20-22-10-4-1-5-11-22)28(24-14-8-3-9-15-24)25-16-18-27(19-17-25)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2
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25n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432582
PNG
(CHEMBL205229)
Show SMILES NCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C10H11FN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
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29n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220548
PNG
(CHEMBL87132)
Show SMILES Brc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H25BrN2O/c26-22-13-11-21(12-14-22)25(29)28(23-9-5-2-6-10-23)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
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32n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432579
PNG
(CHEMBL2347034)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C21H24FN3/c22-18-8-9-21-20(15-18)17(16-23-21)5-4-10-24-11-13-25(14-12-24)19-6-2-1-3-7-19/h1-3,6-9,15-16,23H,4-5,10-14H2
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36n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403939
PNG
(CHEMBL85391)
Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C23H23ClN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2
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50n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432578
PNG
(CHEMBL2347165)
Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1
Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2
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50n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3]5-HT uptake


Eur J Med Chem 123: 746-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.053
BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432578
PNG
(CHEMBL2347165)
Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1
Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2
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53n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432576
PNG
(CHEMBL2347167)
Show SMILES OCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2O/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-5-15-6-7-17/h3-4,8-9,15-17H,1-2,5-7H2
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62n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403946
PNG
(CHEMBL83982)
Show SMILES Oc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24-13-11-22(12-14-24)27(25(29)21-9-5-2-6-10-21)23-15-17-26(18-16-23)19-20-7-3-1-4-8-20/h1-14,23,28H,15-19H2
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79n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220549
PNG
(CHEMBL85950)
Show SMILES O=C(CCc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(17-16-23-10-4-1-5-11-23)29(25-14-8-3-9-15-25)26-18-20-28(21-19-26)22-24-12-6-2-7-13-24/h1-15,26H,16-22H2
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79n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220551
PNG
(CHEMBL310016)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccco1
Show InChI InChI=1S/C23H24N2O2/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2
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100n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403948
PNG
(CHEMBL82859)
Show SMILES COc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O2/c1-30-25-14-12-23(13-15-25)28(26(29)22-10-6-3-7-11-22)24-16-18-27(19-17-24)20-21-8-4-2-5-9-21/h2-15,24H,16-20H2,1H3
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126n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220550
PNG
(CHEMBL85568)
Show SMILES O=C(N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O/c29-26(24-14-8-3-9-15-24)28(21-23-12-6-2-7-13-23)25-16-18-27(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2
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158n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M3 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50220553
PNG
(CHEMBL82850)
Show SMILES CC(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H23BrN2O/c1-16(24)23(19-9-7-18(21)8-10-19)20-11-13-22(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3
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158n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432571
PNG
(CHEMBL2346670)
Show SMILES CCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C13H17FN2O2S/c1-3-16(19(2,17)18)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3
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174n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432566
PNG
(CHEMBL2347179)
Show SMILES Fc1ccc2[nH]cc(CCCC#N)c2c1
Show InChI InChI=1S/C12H11FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3H2
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184n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50220523
PNG
(CHEMBL88078)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C23H24N2OS/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2
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200n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50432568
PNG
(CHEMBL2347177)
Show SMILES Fc1ccc2[nH]cc(CCCSC#N)c2c1
Show InChI InChI=1S/C12H11FN2S/c13-10-3-4-12-11(6-10)9(7-15-12)2-1-5-16-8-14/h3-4,6-7,15H,1-2,5H2
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212n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50220556
PNG
(CHEMBL83363)
Show SMILES O=C(C1CCC1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23(20-10-7-11-20)25(21-12-5-2-6-13-21)22-14-16-24(17-15-22)18-19-8-3-1-4-9-19/h1-6,8-9,12-13,20,22H,7,10-11,14-18H2
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251n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50220521
PNG
(CHEMBL87302)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N2O/c28-25(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)24-16-18-26(19-17-24)20-21-10-4-1-5-11-21/h1-15,24H,16-20H2
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316n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50220555
PNG
(CHEMBL86309)
Show SMILES O=C(Cc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O/c29-26(20-22-10-4-1-5-11-22)28(24-14-8-3-9-15-24)25-16-18-27(19-17-25)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2
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316n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
In vitro affinity for muscarinic M2 receptor.


Bioorg Med Chem Lett 12: 2535-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00487-0
BindingDB Entry DOI: 10.7270/Q2GT5PBW
More data for this
Ligand-Target Pair
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