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10 similar compounds to monomer 50181126

Compile data set for download or QSAR
Wt: 300.4
BDBM50181109
Wt: 300.4
BDBM50181114
Wt: 300.4
BDBM50181121
Wt: 258.3
BDBM50181131
Wt: 272.3
BDBM50181134
Wt: 286.4
BDBM50181107
Wt: 286.4
BDBM50181089
Wt: 302.4
BDBM50181090
Wt: 300.4
BDBM50181094
Wt: 300.4
BDBM50181096

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50181109,50181114,50181121,50181131,50181134,50181107,50181089,50181090,50181094,50181096   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor 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
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
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



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor


J Med Chem 51: 5471-89 (2008)


Article DOI: 10.1021/jm800582j
BindingDB Entry DOI: 10.7270/Q2GQ6ZNK
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 Pharma S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3077-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.047
BindingDB Entry DOI: 10.7270/Q2PR7VNX
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))
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))
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))
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))
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))
BDBM50181090
PNG
((1-(2-cyclopropyl-6-(cyclopropylamino)-5-methylpyr...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC(CO)CC1)C1CC1
Show InChI InChI=1S/C17H26N4O/c1-11-15(18-14-4-5-14)19-16(13-2-3-13)20-17(11)21-8-6-12(10-22)7-9-21/h12-14,22H,2-10H2,1H3,(H,18,19,20)
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501n/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


(Cavia porcellus)
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)
MMDB

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n/an/an/a 12.6n/an/an/an/an/a



UCB Pharma S.A.

Curated by ChEMBL


Assay Description
Activity at M3 muscarinic receptor in guinea pig assessed as effect on carbachol-induced trachea contraction


Bioorg Med Chem Lett 17: 3077-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.047
BindingDB Entry DOI: 10.7270/Q2PR7VNX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
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)
MMDB

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n/an/an/a 13n/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Activity at muscarinic M3 receptor in guinea pig trachea contracted with carbachol


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