Found 25 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50012627 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
(RAT) | BDBM50121132
((4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1...)Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C34H38N2O7S/c1-24-4-2-3-5-30(24)33(37)36-18-14-27(15-19-36)35-16-12-26(13-17-35)34(42-20-21-43-34)25-6-8-28(9-7-25)44(38,39)29-10-11-31-32(22-29)41-23-40-31/h2-11,22,26-27H,12-21,23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121130
((2-Amino-3-methyl-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N Show InChI InChI=1S/C34H41N3O6S/c1-24-4-3-5-31(32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23,35H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121134
((3-Amino-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C Show InChI InChI=1S/C34H41N3O6S/c1-24-31(4-3-5-32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23,35H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121126
((2-Amino-4-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)cc1N Show InChI InChI=1S/C33H38FN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-11-4-25(34)22-31(30)35/h2-11,22,24,26H,12-21,35H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121138
((2-Amino-3-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(F)c1N Show InChI InChI=1S/C33H38FN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(34)31(29)35/h2-12,24-25H,13-22,35H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121127
((3-Amino-2-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1Cl Show InChI InChI=1S/C33H38ClN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(35)31(29)34/h2-12,24-25H,13-22,35H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121139
((5-Amino-2-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(N)ccc1Cl Show InChI InChI=1S/C33H38ClN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-22-25(35)4-11-31(30)34/h2-11,22,24,26H,12-21,35H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121124
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C34H40N2O6S/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(41-23-24-42-34)26-7-11-30(12-8-26)43(38,39)31-13-9-29(40-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121125
((2-Amino-5-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(F)ccc1N Show InChI InChI=1S/C33H38FN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-22-25(34)4-11-31(30)35/h2-11,22,24,26H,12-21,35H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121131
((3-Chloro-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(Cl)c1C Show InChI InChI=1S/C34H39ClN2O6S/c1-24-31(4-3-5-32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121144
((3-Amino-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1 Show InChI InChI=1S/C33H39N3O6S/c1-40-29-7-11-31(12-8-29)43(38,39)30-9-5-25(6-10-30)33(41-21-22-42-33)26-13-17-35(18-14-26)28-15-19-36(20-16-28)32(37)24-3-2-4-27(34)23-24/h2-12,23,26,28H,13-22,34H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121140
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(SCCS1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C34H40N2O4S3/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(41-23-24-42-34)26-7-11-30(12-8-26)43(38,39)31-13-9-29(40-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121142
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)Show SMILES CNc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C34H41N3O6S/c1-35-32-6-4-3-5-31(32)33(38)37-21-17-27(18-22-37)36-19-15-26(16-20-36)34(42-23-24-43-34)25-7-11-29(12-8-25)44(39,40)30-13-9-28(41-2)10-14-30/h3-14,26-27,35H,15-24H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121129
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C34H37F3N2O6S/c1-43-27-8-12-29(13-9-27)46(41,42)28-10-6-24(7-11-28)33(44-22-23-45-33)25-14-18-38(19-15-25)26-16-20-39(21-17-26)32(40)30-4-2-3-5-31(30)34(35,36)37/h2-13,25-26H,14-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121121
((2-Amino-3-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(Cl)c1N Show InChI InChI=1S/C33H38ClN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(34)31(29)35/h2-12,24-25H,13-22,35H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121135
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1OC Show InChI InChI=1S/C34H40N2O7S/c1-40-28-9-13-30(14-10-28)44(38,39)29-11-7-25(8-12-29)34(42-23-24-43-34)26-15-19-35(20-16-26)27-17-21-36(22-18-27)33(37)31-5-3-4-6-32(31)41-2/h3-14,26-27H,15-24H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121136
((2,3-Dimethyl-phenyl)-(4-{2-[4-(4-methoxy-benzenes...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1C Show InChI InChI=1S/C35H42N2O6S/c1-25-5-4-6-33(26(25)2)34(38)37-21-17-29(18-22-37)36-19-15-28(16-20-36)35(42-23-24-43-35)27-7-11-31(12-8-27)44(39,40)32-13-9-30(41-3)10-14-32/h4-14,28-29H,15-24H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121120
((2-Amino-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1N Show InChI InChI=1S/C33H39N3O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23,34H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121123
((2-Chloro-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C33H37ClN2O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121143
((2-Bromo-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Br Show InChI InChI=1S/C33H37BrN2O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121133
((2,6-Dichloro-phenyl)-(4-{2-[4-(4-methoxy-benzenes...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C33H36Cl2N2O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)31-29(34)3-2-4-30(31)35/h2-12,24-25H,13-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121128
((4-{2-[4-(4-Methoxy-benzenesulfinyl)-phenyl]-[1,3]...)Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C34H40N2O5S/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(40-23-24-41-34)26-7-11-30(12-8-26)42(38)31-13-9-29(39-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121141
((2-Fluoro-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1F Show InChI InChI=1S/C33H37FN2O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121122
((4-{(4R,5R)-2-[4-(4-Methoxy-benzenesulfonyl)-pheny...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(O[C@H](C)[C@@H](C)O1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C36H44N2O6S/c1-25-7-5-6-8-34(25)35(39)38-23-19-30(20-24-38)37-21-17-29(18-22-37)36(43-26(2)27(3)44-36)28-9-13-32(14-10-28)45(40,41)33-15-11-31(42-4)12-16-33/h5-16,26-27,29-30H,17-24H2,1-4H3/t26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50121137
((4-{(4R,5R)-2-[4-(4-Methoxy-benzenesulfinyl)-pheny...)Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C1(O[C@H](C)[C@@H](C)O1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C36H44N2O5S/c1-25-7-5-6-8-34(25)35(39)38-23-19-30(20-24-38)37-21-17-29(18-22-37)36(42-26(2)27(3)43-36)28-9-13-32(14-10-28)44(40)33-15-11-31(41-4)12-16-33/h5-16,26-27,29-30H,17-24H2,1-4H3/t26-,27-,44?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 12: 3479-82 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RGD |
More data for this
Ligand-Target Pair | |
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