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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'lebon' and Initial = 'f'   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.339 -54.1n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.407 -53.6n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22548
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...)
Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6|
Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)
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1 -51.4n/an/a 2n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181096
PNG
(6-(azocan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidi...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCCCCC1)C1CC1
Show InChI InChI=1S/C18H28N4/c1-13-16(19-15-9-10-15)20-17(14-7-8-14)21-18(13)22-11-5-3-2-4-6-12-22/h14-15H,2-12H2,1H3,(H,19,20,21)
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1.60n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22538
PNG
(4-Benzyl-1H-imidazole derivative, 19 | 4-{[3-(2-ph...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C18H14N2/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(11-16)12-18-13-19-14-20-18/h1-8,11,13-14H,12H2,(H,19,20)
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2 -49.7n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22540
PNG
(4-Benzyl-1H-imidazole derivative, 21 | 4-{[3-(pent...)
Show SMILES CCCC#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C15H16N2/c1-2-3-4-6-13-7-5-8-14(9-13)10-15-11-16-12-17-15/h5,7-9,11-12H,2-3,10H2,1H3,(H,16,17)
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3 -48.6n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181089
PNG
(6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidi...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CC1
Show InChI InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20)
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3.20n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22529
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-...)
Show SMILES CC1(C)COC(=N1)c1cccc(Cc2cnc[nH]2)c1 |c:5|
Show InChI InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-4-11(6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
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4 -47.9n/an/a 16n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22537
PNG
(4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...)
Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)
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4 -47.9n/an/a 8n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22537
PNG
(4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...)
Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)
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6 -46.9n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22536
PNG
(1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...)
Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
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6 -46.9n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181100
PNG
(6-(3-aza-bicyclo[3.2.1]octan-3-yl)-N,2-dicycloprop...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CC2CCC(C2)C1)C1CC1
Show InChI InChI=1S/C18H26N4/c1-11-16(19-15-6-7-15)20-17(14-4-5-14)21-18(11)22-9-12-2-3-13(8-12)10-22/h12-15H,2-10H2,1H3,(H,19,20,21)
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6.30n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181094
PNG
(6-(azepan-1-yl)-N-cyclobutyl-2-cyclopropyl-5-methy...)
Show SMILES Cc1c(NC2CCC2)nc(nc1N1CCCCCC1)C1CC1
Show InChI InChI=1S/C18H28N4/c1-13-16(19-15-7-6-8-15)20-17(14-9-10-14)21-18(13)22-11-4-2-3-5-12-22/h14-15H,2-12H2,1H3,(H,19,20,21)
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7.90n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181118
PNG
((+,-)-6-(azepan-1-yl)-2-cyclopropyl-5-methyl-N-(2-...)
Show SMILES C[C@H]1C[C@@H]1Nc1nc(nc(N2CCCCCC2)c1C)C1CC1
Show InChI InChI=1S/C18H28N4/c1-12-11-15(12)19-16-13(2)18(21-17(20-16)14-7-8-14)22-9-5-3-4-6-10-22/h12,14-15H,3-11H2,1-2H3,(H,19,20,21)/t12-,15-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22548
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...)
Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6|
Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)
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8 -46.2n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181105
PNG
(4-(azepan-1-yl)-2-cyclopropyl-6,7,8,9-tetrahydro-5...)
Show SMILES C1CC1c1nc2NCCCCc2c(n1)N1CCCCCC1
Show InChI InChI=1S/C17H26N4/c1-2-6-12-21(11-5-1)17-14-7-3-4-10-18-16(14)19-15(20-17)13-8-9-13/h13H,1-12H2,(H,18,19,20)
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10n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181114
PNG
(6-(azepan-1-yl)-2-cyclopropyl-5-methyl-N-(1-methyl...)
Show SMILES Cc1c(NC2(C)CC2)nc(nc1N1CCCCCC1)C1CC1
Show InChI InChI=1S/C18H28N4/c1-13-15(21-18(2)9-10-18)19-16(14-7-8-14)20-17(13)22-11-5-3-4-6-12-22/h14H,3-12H2,1-2H3,(H,19,20,21)
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10n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181134
PNG
(CHEMBL205105 | N,2-dicyclopropyl-5-methyl-6-(piper...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCCC1)C1CC1
Show InChI InChI=1S/C16H24N4/c1-11-14(17-13-7-8-13)18-15(12-5-6-12)19-16(11)20-9-3-2-4-10-20/h12-13H,2-10H2,1H3,(H,17,18,19)
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13n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181107
PNG
(CHEMBL208280 | N,2-dicyclopropyl-5-methyl-6-(4-met...)
Show SMILES CC1CCN(CC1)c1nc(nc(NC2CC2)c1C)C1CC1
Show InChI InChI=1S/C17H26N4/c1-11-7-9-21(10-8-11)17-12(2)15(18-14-5-6-14)19-16(20-17)13-3-4-13/h11,13-14H,3-10H2,1-2H3,(H,18,19,20)
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16n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181128
PNG
(6-(azepan-1-yl)-N-cyclopropyl-2-isopropyl-5-methyl...)
Show SMILES CC(C)c1nc(NC2CC2)c(C)c(n1)N1CCCCCC1
Show InChI InChI=1S/C17H28N4/c1-12(2)15-19-16(18-14-8-9-14)13(3)17(20-15)21-10-6-4-5-7-11-21/h12,14H,4-11H2,1-3H3,(H,18,19,20)
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25n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181121
PNG
(CHEMBL381333 | N,2-dicyclopropyl-6-(4,4-dimethylpi...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC(C)(C)CC1)C1CC1
Show InChI InChI=1S/C18H28N4/c1-12-15(19-14-6-7-14)20-16(13-4-5-13)21-17(12)22-10-8-18(2,3)9-11-22/h13-14H,4-11H2,1-3H3,(H,19,20,21)
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25n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181111
PNG
(CHEMBL205992 | N,2-dicyclopropyl-6-(5,6-dihydropyr...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC=CC1)C1CC1 |c:16|
Show InChI InChI=1S/C16H22N4/c1-11-14(17-13-7-8-13)18-15(12-5-6-12)19-16(11)20-9-3-2-4-10-20/h2-3,12-13H,4-10H2,1H3,(H,17,18,19)
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32n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181108
PNG
((-)-6-(azepan-1-yl)-N-cyclopropyl-5-methyl-2-(2-me...)
Show SMILES C[C@@H]1C[C@H]1c1nc(NC2CC2)c(C)c(n1)N1CCCCCC1
Show InChI InChI=1S/C18H28N4/c1-12-11-15(12)17-20-16(19-14-7-8-14)13(2)18(21-17)22-9-5-3-4-6-10-22/h12,14-15H,3-11H2,1-2H3,(H,19,20,21)/t12-,15-/m1/s1
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32n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22536
PNG
(1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...)
Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
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32 -42.8n/an/a 79n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22533
PNG
(4-Benzyl-1H-imidazole derivative, 14 | 4-[(3-pheny...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-16-11-17-12-18-16/h1-9,11-12H,10H2,(H,17,18)
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33 -42.7n/an/a 200n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22549
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azasp...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NC2(CCCC2)CO1 |t:14|
Show InChI InChI=1S/C17H19N3O/c1-2-7-17(6-1)11-21-16(20-17)14-5-3-4-13(8-14)9-15-10-18-12-19-15/h3-5,8,10,12H,1-2,6-7,9,11H2,(H,18,19)
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40 -42.2n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181106
PNG
(6-(azepan-1-yl)-2-cyclobutyl-N-cyclopropyl-5-methy...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CCC1
Show InChI InChI=1S/C18H28N4/c1-13-16(19-15-9-10-15)20-17(14-7-6-8-14)21-18(13)22-11-4-2-3-5-12-22/h14-15H,2-12H2,1H3,(H,19,20,21)
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40n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22534
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]pyridine | 4-B...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C15H13N3/c1-2-7-17-15(6-1)13-5-3-4-12(8-13)9-14-10-16-11-18-14/h1-8,10-11H,9H2,(H,16,18)
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41 -42.2n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181109
PNG
(CHEMBL205944 | N,2-dicyclopropyl-6-(4-ethylpiperid...)
Show SMILES CCC1CCN(CC1)c1nc(nc(NC2CC2)c1C)C1CC1
Show InChI InChI=1S/C18H28N4/c1-3-13-8-10-22(11-9-13)18-12(2)16(19-15-6-7-15)20-17(21-18)14-4-5-14/h13-15H,3-11H2,1-2H3,(H,19,20,21)
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50n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181101
PNG
(CHEMBL381752 | N,2-dicyclopropyl-6-(4,4-difluoropi...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC(F)(F)CC1)C1CC1
Show InChI InChI=1S/C16H22F2N4/c1-10-13(19-12-4-5-12)20-14(11-2-3-11)21-15(10)22-8-6-16(17,18)7-9-22/h11-12H,2-9H2,1H3,(H,19,20,21)
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50n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181103
PNG
(4-(azepan-1-yl)-2-cyclopropyl-5,6,7,8-tetrahydropy...)
Show SMILES C1CC1c1nc2NCCCc2c(n1)N1CCCCCC1
Show InChI InChI=1S/C16H24N4/c1-2-4-11-20(10-3-1)16-13-6-5-9-17-15(13)18-14(19-16)12-7-8-12/h12H,1-11H2,(H,17,18,19)
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50n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22550
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azasp...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NCC2(CCCCC2)O1 |t:14|
Show InChI InChI=1S/C18H21N3O/c1-2-7-18(8-3-1)12-20-17(22-18)15-6-4-5-14(9-15)10-16-11-19-13-21-16/h4-6,9,11,13H,1-3,7-8,10,12H2,(H,19,21)
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56 -41.4n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181092
PNG
(CHEMBL380954 | N4-(2,6-difluorobenzyl)-N6,2-dicycl...)
Show SMILES Cc1c(NCc2c(F)cccc2F)nc(nc1NC1CC1)C1CC1
Show InChI InChI=1S/C18H20F2N4/c1-10-16(21-9-13-14(19)3-2-4-15(13)20)23-18(11-5-6-11)24-17(10)22-12-7-8-12/h2-4,11-12H,5-9H2,1H3,(H2,21,22,23,24)
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63n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181123
PNG
(6-(azepan-1-yl)-N,2-dicyclopropylpyrimidin-4-amine...)
Show SMILES C1CC1Nc1cc(nc(n1)C1CC1)N1CCCCCC1
Show InChI InChI=1S/C16H24N4/c1-2-4-10-20(9-3-1)15-11-14(17-13-7-8-13)18-16(19-15)12-5-6-12/h11-13H,1-10H2,(H,17,18,19)
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63n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181088
PNG
(6-(azepan-1-yl)-N4,2-dicyclopropylpyrimidine-4,5-d...)
Show SMILES Nc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CC1
Show InChI InChI=1S/C16H25N5/c17-13-15(18-12-7-8-12)19-14(11-5-6-11)20-16(13)21-9-3-1-2-4-10-21/h11-12H,1-10,17H2,(H,18,19,20)
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79n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181132
PNG
(CHEMBL205853 | cyclopropyl-(2-cyclopropyl-5-methyl...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCSCC1)C1CC1
Show InChI InChI=1S/C15H22N4S/c1-10-13(16-12-4-5-12)17-14(11-2-3-11)18-15(10)19-6-8-20-9-7-19/h11-12H,2-9H2,1H3,(H,16,17,18)
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79n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181120
PNG
(CHEMBL206480 | N,2-dicyclopropyl-5-methyl-6-(4-met...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC(=C)CC1)C1CC1
Show InChI InChI=1S/C17H24N4/c1-11-7-9-21(10-8-11)17-12(2)15(18-14-5-6-14)19-16(20-17)13-3-4-13/h13-14H,1,3-10H2,2H3,(H,18,19,20)
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79n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181127
PNG
(6-(azepan-1-yl)-2-cyclopentyl-N-cyclopropyl-5-meth...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CCCC1
Show InChI InChI=1S/C19H30N4/c1-14-17(20-16-10-11-16)21-18(15-8-4-5-9-15)22-19(14)23-12-6-2-3-7-13-23/h15-16H,2-13H2,1H3,(H,20,21,22)
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79n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181116
PNG
(CHEMBL380477 | N4,2-dicyclopropyl-5-methyl-N6-(2-(...)
Show SMILES Cc1c(NCCc2cccs2)nc(nc1NC1CC1)C1CC1
Show InChI InChI=1S/C17H22N4S/c1-11-15(18-9-8-14-3-2-10-22-14)20-17(12-4-5-12)21-16(11)19-13-6-7-13/h2-3,10,12-13H,4-9H2,1H3,(H2,18,19,20,21)
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79n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22552
PNG
((4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]...)
Show SMILES C([C@@H]1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)c1ccccc1 |r,c:4|
Show InChI InChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1
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89 -40.2n/an/a 79n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181102
PNG
(CHEMBL206826 | N,2-dicyclopropyl-5-ethyl-6-thiomor...)
Show SMILES CCc1c(NC2CC2)nc(nc1N1CCSCC1)C1CC1
Show InChI InChI=1S/C16H24N4S/c1-2-13-15(17-12-5-6-12)18-14(11-3-4-11)19-16(13)20-7-9-21-10-8-20/h11-12H,2-10H2,1H3,(H,17,18,19)
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100n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181133
PNG
(CHEMBL380926 | N,2-dicyclopropyl-5-methyl-6-(4-(tr...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC(CC1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H23F3N4/c1-10-14(21-13-4-5-13)22-15(11-2-3-11)23-16(10)24-8-6-12(7-9-24)17(18,19)20/h11-13H,2-9H2,1H3,(H,21,22,23)
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100n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181131
PNG
(CHEMBL427390 | N,2-dicyclopropyl-5-methyl-6-(pyrro...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCC1)C1CC1
Show InChI InChI=1S/C15H22N4/c1-10-13(16-12-6-7-12)17-14(11-4-5-11)18-15(10)19-8-2-3-9-19/h11-12H,2-9H2,1H3,(H,16,17,18)
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100n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181112
PNG
(CHEMBL205737 | N4,2-dicyclopropyl-5-methyl-N6-(thi...)
Show SMILES Cc1c(NCc2cccs2)nc(nc1NC1CC1)C1CC1
Show InChI InChI=1S/C16H20N4S/c1-10-14(17-9-13-3-2-8-21-13)19-16(11-4-5-11)20-15(10)18-12-6-7-12/h2-3,8,11-12H,4-7,9H2,1H3,(H2,17,18,19,20)
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126n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181115
PNG
(6-(azepan-1-yl)-N-cyclopropyl-2-(cyclopropylmethyl...)
Show SMILES Cc1c(NC2CC2)nc(CC2CC2)nc1N1CCCCCC1
Show InChI InChI=1S/C18H28N4/c1-13-17(19-15-8-9-15)20-16(12-14-6-7-14)21-18(13)22-10-4-2-3-5-11-22/h14-15H,2-12H2,1H3,(H,19,20,21)
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126n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22531
PNG
(3-(1H-imidazol-4-ylmethyl)benzonitrile | 4-Benzyl-...)
Show SMILES N#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C11H9N3/c12-6-10-3-1-2-9(4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)
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155 -38.9n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181122
PNG
(CHEMBL204353 | [6-(8-aza-spiro[4.5]dec-8-yl)-2-cyc...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC2(CCCC2)CC1)C1CC1
Show InChI InChI=1S/C20H30N4/c1-14-17(21-16-6-7-16)22-18(15-4-5-15)23-19(14)24-12-10-20(11-13-24)8-2-3-9-20/h15-16H,2-13H2,1H3,(H,21,22,23)
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158n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22532
PNG
(4-Benzyl-1H-imidazole derivative, 13 | 4-benzyl-1H...)
Show SMILES C(c1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12)
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162 -38.8n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181098
PNG
(CHEMBL381259 | N4-benzyl-N6,2-dicyclopropyl-5-meth...)
Show SMILES Cc1c(NCc2ccccc2)nc(nc1NC1CC1)C1CC1
Show InChI InChI=1S/C18H22N4/c1-12-16(19-11-13-5-3-2-4-6-13)21-18(14-7-8-14)22-17(12)20-15-9-10-15/h2-6,14-15H,7-11H2,1H3,(H2,19,20,21,22)
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200n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181104
PNG
(CHEMBL204471 | N4-benzyl-N6,2-dicyclopropyl-N4,5-d...)
Show SMILES CN(Cc1ccccc1)c1nc(nc(NC2CC2)c1C)C1CC1
Show InChI InChI=1S/C19H24N4/c1-13-17(20-16-10-11-16)21-18(15-8-9-15)22-19(13)23(2)12-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,20,21,22)
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251n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
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