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7 similar compounds to monomer 50092967

Compile data set for download or QSAR
Wt: 440.5
BDBM50092957
Wt: 512.6
BDBM50092959
Wt: 498.6
BDBM50092964
Wt: 510.6
BDBM50092965
Wt: 508.6
BDBM50092969
Wt: 510.6
BDBM50092971
Wt: 558.7
BDBM50092975

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50092957,50092959,50092964,50092965,50092969,50092971,50092975   
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 M2


(Homo sapiens (Human))
BDBM50092959
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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0.0700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092959
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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0.110n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand


Bioorg Med Chem Lett 11: 891-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00100-7
BindingDB Entry DOI: 10.7270/Q2SN087R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092959
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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0.110n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092969
PNG
(CHEMBL74117 | Cyclopropyl-(4-{1-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C29H36N2O4S/c1-21(22-5-9-27(10-6-22)36(33,34)28-11-7-26(35-2)8-12-28)23-13-17-30(18-14-23)25-15-19-31(20-16-25)29(32)24-3-4-24/h5-12,23-25H,1,3-4,13-20H2,2H3
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0.260n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092965
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3
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0.380n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092964
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N2O5S/c1-20(22-12-16-28(17-13-22)23-14-18-29(19-15-23)27(30)34-3)21-4-8-25(9-5-21)35(31,32)26-10-6-24(33-2)7-11-26/h4-11,22-23H,1,12-19H2,2-3H3
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0.990n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092957
PNG
(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092971
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C(C)C
Show InChI InChI=1S/C29H38N2O4S/c1-21(2)29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)36(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092975
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C33H38N2O4S/c1-25(27-8-12-31(13-9-27)40(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092957
PNG
(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3
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3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3 expressed in CHO-K1 cells


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092959
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3 expressed in CHO-K1 cells


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092959
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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6.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092957
PNG
(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3
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9.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092965
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3
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42n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092965
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3
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122n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3 expressed in CHO-K1 cells


Bioorg Med Chem Lett 10: 2247-50 (2001)


Article DOI: 10.1016/s0960-894x(00)00457-1
BindingDB Entry DOI: 10.7270/Q2Z60NBQ
More data for this
Ligand-Target Pair