Found 62 hits with Last Name = 'yao' and Initial = 'jh' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092959
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092961
(1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092969
(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 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092958
(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092962
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092968
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3 | PDB
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PC cid
PC sid
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| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092974
(1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092960
(1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...)Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3 | PDB
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PC cid
PC sid
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| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092965
(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 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092973
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092963
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(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)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092970
(1'-Ethanesulfonyl-4-{1-[4-(4-methoxy-benzenesulfon...)Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H36N2O5S2/c1-4-35(30,31)29-19-15-24(16-20-29)28-17-13-23(14-18-28)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 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092972
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O5S/c1-4-21-36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092964
(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 | PDB
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| Article
PubMed
| 0.991 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092957
(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 | PDB
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PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092966
(1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3 | PDB
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092971
(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 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092975
(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 | PDB
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UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092967
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)Show SMILES CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O4S/c1-4-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)35(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092959
(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 | UniProtKB/SwissProt
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092957
(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 | UniProtKB/SwissProt
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PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092968
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3 | UniProtKB/SwissProt
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PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092962
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3 | UniProtKB/SwissProt
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PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092963
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(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)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3 | UniProtKB/SwissProt
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092973
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3 | UniProtKB/SwissProt
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092958
(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3 | UniProtKB/SwissProt
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PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092961
(1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3 | UniProtKB/SwissProt
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PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092966
(1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3 | UniProtKB/SwissProt
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PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092974
(1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3 | UniProtKB/SwissProt
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PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092972
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)Show SMILES CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O5S/c1-4-21-36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3 | UniProtKB/SwissProt
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092965
(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 | UniProtKB/SwissProt
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092960
(1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...)Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3 | UniProtKB/SwissProt
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092964
(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 | UniProtKB/SwissProt
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092967
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)Show SMILES CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O4S/c1-4-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)35(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3 | UniProtKB/SwissProt
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092969
(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 | UniProtKB/SwissProt
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092970
(1'-Ethanesulfonyl-4-{1-[4-(4-methoxy-benzenesulfon...)Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H36N2O5S2/c1-4-35(30,31)29-19-15-24(16-20-29)28-17-13-23(14-18-28)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 | UniProtKB/SwissProt
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| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092975
(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 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092971
(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 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 2260-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475454
(CHEMBL196218)Show SMILES CCCCCC(=O)OC1CC2CC(CC1N2C)OC(=O)CCCCC |TLB:17:12:15:8.9,THB:7:8:15:13.11.12| Show InChI InChI=1S/C20H35NO4/c1-4-6-8-10-19(22)24-16-12-15-13-18(17(14-16)21(15)3)25-20(23)11-9-7-5-2/h15-18H,4-14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.79 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475453
(CHEMBL372536)Show SMILES CN1C2CC(OC(C)=O)C1CC(C2)OS(=O)(=O)c1ccccc1 |TLB:5:4:1:11.10.12,THB:13:11:1:4.3| Show InChI InChI=1S/C16H21NO5S/c1-11(18)21-16-9-12-8-13(10-15(16)17(12)2)22-23(19,20)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-10H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 50.1 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50064612
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11| Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.45E+4 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475452
(CHEMBL425911)Show SMILES CCCC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:5:6:17:10.9,THB:11:10:17:16.7.6| Show InChI InChI=1S/C14H23NO4/c1-4-5-14(17)19-11-6-10-7-13(18-9(2)16)12(8-11)15(10)3/h10-13H,4-8H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475451
(CHEMBL195939)Show SMILES CCC(=O)OC1CC2CC(CC1N2C)OC(=O)CC |TLB:14:9:12:5.6,THB:4:5:12:10.8.9| Show InChI InChI=1S/C14H23NO4/c1-4-13(16)18-10-6-9-7-12(19-14(17)5-2)11(8-10)15(9)3/h9-12H,4-8H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.26E+4 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475450
(CHEMBL194196)Show SMILES CN1C2CC(OC(C)=O)C1CC(C2)OS(=O)(=O)c1cccc(C)c1 |TLB:5:4:1:11.10.12,THB:13:11:1:4.3| Show InChI InChI=1S/C17H23NO5S/c1-11-5-4-6-15(7-11)24(20,21)23-14-8-13-9-17(22-12(2)19)16(10-14)18(13)3/h4-7,13-14,16-17H,8-10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 89.1 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475449
(CHEMBL197092)Show SMILES CC(=O)OC1CC2NC1CCC2O |TLB:3:4:7:11.9.10,THB:12:11:7:4.5| Show InChI InChI=1S/C9H15NO3/c1-5(11)13-9-4-7-8(12)3-2-6(9)10-7/h6-10,12H,2-4H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 79.4 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475448
(CHEMBL195011)Show SMILES CCCCCCCC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:9:10:21:14.13,THB:15:14:21:20.11.10| Show InChI InChI=1S/C18H31NO4/c1-4-5-6-7-8-9-18(21)23-15-10-14-11-17(22-13(2)20)16(12-15)19(14)3/h14-17H,4-12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.74 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475447
(CHEMBL193642)Show SMILES CN1C2CC(OC(C)=O)C1CC(C2)OC(C)=O |TLB:5:4:1:10.12.11,THB:13:11:1:4.3| Show InChI InChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.46E+3 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475446
(CHEMBL196151)Show SMILES COc1ccc(cc1)S(=O)(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:11:12:23:16.15,THB:17:16:23:12.22.13| Show InChI InChI=1S/C17H23NO6S/c1-11(19)23-17-9-12-8-14(10-16(17)18(12)2)24-25(20,21)15-6-4-13(22-3)5-7-15/h4-7,12,14,16-17H,8-10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 93.3 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475445
(CHEMBL196238)Show SMILES COc1ccc(cc1)C(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:10:11:22:15.14,THB:16:15:22:21.12.11| Show InChI InChI=1S/C18H23NO5/c1-11(20)23-17-9-13-8-15(10-16(17)19(13)2)24-18(21)12-4-6-14(22-3)7-5-12/h4-7,13,15-17H,8-10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.01E+4 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50475444
(CHEMBL196219)Show SMILES CC(=O)OC1CC2CC(CC1N2)OC(=O)\C=C/c1ccccc1 |TLB:12:8:11:4.5,THB:3:4:11:9.8.7| Show InChI InChI=1S/C18H21NO4/c1-12(20)22-17-10-14-9-15(11-16(17)19-14)23-18(21)8-7-13-5-3-2-4-6-13/h2-8,14-17,19H,9-11H2,1H3/b8-7- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a |
Shanghai Second Medical University
Curated by ChEMBL
| Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle |
Bioorg Med Chem Lett 15: 4814-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT |
More data for this
Ligand-Target Pair | |
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