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9 similar compounds to monomer 50181117

Compile data set for download or QSAR
Wt: 300.4
BDBM50181109
Wt: 300.4
BDBM50181114
Wt: 300.4
BDBM50181118
Wt: 300.4
BDBM50181121
Wt: 326.4
BDBM50181122
Wt: 272.3
BDBM50181134
Wt: 286.4
BDBM50181107
Wt: 286.4
BDBM50181089
Wt: 300.4
BDBM50181094

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50181109,50181114,50181118,50181121,50181122,50181134,50181107,50181089,50181094   
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))
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))
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
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))
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
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
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