Found 74 hits of Enzyme Inhibition Constant Data 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 |
|---|
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275558
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12 Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275559
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1 Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275505
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275557
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275503
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275560
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1 Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275504
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50275502
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275503
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275504
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275557
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275502
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275504
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275504
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275379
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1 Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275504
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275559
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1 Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275502
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275502
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50276002
(1-(1'-(2-methylbenzoyl)-1,4'-bipiperidin-4-yl)-1H-...)Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H30N4O2/c1-18-6-2-3-7-21(18)24(30)28-16-10-19(11-17-28)27-14-12-20(13-15-27)29-23-9-5-4-8-22(23)26-25(29)31/h2-9,19-20H,10-17H2,1H3,(H,26,31) | UniProtKB/SwissProt
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275344
(5-chloro-1-(1'-(3-chlorobenzoyl)-1,4'-bipiperidin-...)Show SMILES Clc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C24H26Cl2N4O2/c25-17-3-1-2-16(14-17)23(31)29-12-6-19(7-13-29)28-10-8-20(9-11-28)30-22-5-4-18(26)15-21(22)27-24(30)32/h1-5,14-15,19-20H,6-13H2,(H,27,32) | UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.11E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275503
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275505
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | PDB
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UniChem
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| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275588
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27) | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 11.9 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275557
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275560
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1 Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275379
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1 Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50263370
(1-(1'-(2-(trifluoromethyl)benzyl)-1,4'-bipiperidin...)Show SMILES FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H29F3N4O/c26-25(27,28)21-6-2-1-5-18(21)17-30-13-9-19(10-14-30)31-15-11-20(12-16-31)32-23-8-4-3-7-22(23)29-24(32)33/h1-8,19-20H,9-17H2,(H,29,33) | UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 334 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50276049
(5-chloro-1-(1'-(2-methylbenzoyl)-1,4'-bipiperidin-...)Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C25H29ClN4O2/c1-17-4-2-3-5-21(17)24(31)29-14-8-19(9-15-29)28-12-10-20(11-13-28)30-23-7-6-18(26)16-22(23)27-25(30)32/h2-7,16,19-20H,8-15H2,1H3,(H,27,32) | UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.71E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275345
(1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H28N4O3S/c28-23-24-21-8-4-5-9-22(21)27(23)19-10-14-25(15-11-19)18-12-16-26(17-13-18)31(29,30)20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,24,28) | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275502
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29) | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275557
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275558
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12 Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36) | UniProtKB/SwissProt
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UniChem
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275557
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275503
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275558
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12 Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275560
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1 Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275588
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 113 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275505
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275558
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12 Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 289 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50276052
(1-(1'-(2-(trifluoromethyl)benzoyl)-1,4'-bipiperidi...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H27F3N4O2/c26-25(27,28)20-6-2-1-5-19(20)23(33)31-15-9-17(10-16-31)30-13-11-18(12-14-30)32-22-8-4-3-7-21(22)29-24(32)34/h1-8,17-18H,9-16H2,(H,29,34) | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 910 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275379
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1 Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35) | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275503
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | UniProtKB/SwissProt
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PC sid
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Similars
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PubMed
| n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275560
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1 Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275560
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1 Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275588
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27) | UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275379
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1 Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275559
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1 Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275504
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275559
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1 Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275379
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1 Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275505
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275505
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275502
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275503
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275342
(5-chloro-1-(1'-(2-(trifluoromethyl)benzoyl)-1,4'-b...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C25H26ClF3N4O2/c26-16-5-6-22-21(15-16)30-24(35)33(22)18-9-11-31(12-10-18)17-7-13-32(14-8-17)23(34)19-3-1-2-4-20(19)25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275588
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.10 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275558
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12 Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50275588
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 34.3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50275557
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275558
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12 Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50275559
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1 Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275559
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1 Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50275560
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1 Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50276050
(1-(1'-(3-methylbenzoyl)-1,4'-bipiperidin-4-yl)-1H-...)Show SMILES Cc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H30N4O2/c1-18-5-4-6-19(17-18)24(30)28-15-9-20(10-16-28)27-13-11-21(12-14-27)29-23-8-3-2-7-22(23)26-25(29)31/h2-8,17,20-21H,9-16H2,1H3,(H,26,31) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 510 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50276051
(5-chloro-1-(1'-(3-methylbenzoyl)-1,4'-bipiperidin-...)Show SMILES Cc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C25H29ClN4O2/c1-17-3-2-4-18(15-17)24(31)29-13-7-20(8-14-29)28-11-9-21(10-12-28)30-23-6-5-19(26)16-22(23)27-25(30)32/h2-6,15-16,20-21H,7-14H2,1H3,(H,27,32) | UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275343
(1-(1'-(3-chlorobenzoyl)-1,4'-bipiperidin-4-yl)-1H-...)Show SMILES Clc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C24H27ClN4O2/c25-18-5-3-4-17(16-18)23(30)28-14-8-19(9-15-28)27-12-10-20(11-13-27)29-22-7-2-1-6-21(22)26-24(29)31/h1-7,16,19-20H,8-15H2,(H,26,31) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 930 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50275505
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5443-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C |
More data for this
Ligand-Target Pair | |
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