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26 molecules are shown

Compile data set for download or QSAR
Wt: 300.4
BDBM50181108
Wt: 286.4
BDBM50181089
Wt: 288.3
BDBM50181091
Wt: 300.4
BDBM50181094
Wt: 300.4
BDBM50181096
Wt: 298.4
BDBM50181100
Wt: 308.3
BDBM50181101
Wt: 286.4
BDBM50209326
Wt: 300.4
BDBM50209328
Wt: 314.4
BDBM50209332
Wt: 328.4
BDBM50209318
<<  First   |  Previous   |  Displayed 16 to 26 (of 26 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50181108,50181089,50181091,50181094,50181096,50181100,50181101,50209326,50209328,50209332,50209318   
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))
BDBM50209328
PNG
(1-(2-cyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrim...)
Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCC1
Show InChI InChI=1S/C18H28N4/c1-14-17(21-10-4-2-3-5-11-21)19-16(15-8-9-15)20-18(14)22-12-6-7-13-22/h15H,2-13H2,1H3
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1.30n/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))
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))
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))
BDBM50209326
PNG
(1-(6-(azetidin-1-yl)-2-cyclopropyl-5-methylpyrimid...)
Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCC1
Show InChI InChI=1S/C17H26N4/c1-13-16(20-9-4-2-3-5-10-20)18-15(14-7-8-14)19-17(13)21-11-6-12-21/h14H,2-12H2,1H3
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16n/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))
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50209318
PNG
(1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...)
Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCCCC1
Show InChI InChI=1S/C20H32N4/c1-16-19(23-12-6-2-3-7-13-23)21-18(17-10-11-17)22-20(16)24-14-8-4-5-9-15-24/h17H,2-15H2,1H3
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40n/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))
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))
BDBM50209332
PNG
(1-(2-cyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimi...)
Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCCC1
Show InChI InChI=1S/C19H30N4/c1-15-18(22-11-5-2-3-6-12-22)20-17(16-9-10-16)21-19(15)23-13-7-4-8-14-23/h16H,2-14H2,1H3
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79n/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))
BDBM50181091
PNG
(1-(2-cyclopropyl-6-(cyclopropylamino)-5-methylpyri...)
Show SMILES Cc1c(NC2CC2)nc(nc1N1CCC(O)CC1)C1CC1
Show InChI InChI=1S/C16H24N4O/c1-10-14(17-12-4-5-12)18-15(11-2-3-11)19-16(10)20-8-6-13(21)7-9-20/h11-13,21H,2-9H2,1H3,(H,17,18,19)
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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 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
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50209326
PNG
(1-(6-(azetidin-1-yl)-2-cyclopropyl-5-methylpyrimid...)
Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCC1
Show InChI InChI=1S/C17H26N4/c1-13-16(20-9-4-2-3-5-10-20)18-15(14-7-8-14)19-17(13)21-11-6-12-21/h14H,2-12H2,1H3
MMDB

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n/an/an/a 1.00E+3n/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