Found 217 hits with Last Name = 'diouf' and Initial = 'o' 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
(Rattus norvegicus (rat)) | BDBM50290513
(1-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1 Show InChI InChI=1S/C37H45FN4O4/c1-45-35-8-3-2-7-34(35)41-23-20-39(21-24-41)17-5-4-6-28-9-14-33-31(26-28)27-46-37(44)42(33)25-22-40-18-15-30(16-19-40)36(43)29-10-12-32(38)13-11-29/h2-3,7-14,26,30H,4-6,15-25,27H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290515
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)oc3c2)CC1 Show InChI InChI=1S/C36H43FN4O4/c1-44-33-8-3-2-7-31(33)40-23-20-38(21-24-40)17-5-4-6-27-9-14-32-34(26-27)45-36(43)41(32)25-22-39-18-15-29(16-19-39)35(42)28-10-12-30(37)13-11-28/h2-3,7-14,26,29H,4-6,15-25H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290508
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCOCC4)cc3sc2=O)CC1 Show InChI InChI=1S/C29H36FN3O3S/c30-25-7-5-23(6-8-25)28(34)24-10-13-32(14-11-24)15-16-33-26-9-4-22(21-27(26)37-29(33)35)3-1-2-12-31-17-19-36-20-18-31/h4-9,21,24H,1-3,10-20H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403947
(CHEMBL85996)Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C25H24BrClN2O/c26-21-8-12-23(13-9-21)29(25(30)20-6-10-22(27)11-7-20)24-14-16-28(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50290510
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403940
(CHEMBL85892)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290511
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C36H43FN4O3S/c1-44-33-8-3-2-7-31(33)40-23-20-38(21-24-40)17-5-4-6-27-9-14-32-34(26-27)45-36(43)41(32)25-22-39-18-15-29(16-19-39)35(42)28-10-12-30(37)13-11-28/h2-3,7-14,26,29H,4-6,15-25H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403944
(CHEMBL84993)Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25ClN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290509
(1-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3-[#7](-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)-[#6](=O)-[#8]-[#6]-c3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C43H48F2N4O3/c1-51-41-8-3-2-7-40(41)48-27-24-46(25-28-48)21-5-4-6-32-9-18-39-36(30-32)31-52-43(50)49(39)29-26-47-22-19-35(20-23-47)42(33-10-14-37(44)15-11-33)34-12-16-38(45)17-13-34/h2-3,7-18,30H,4-6,19-29,31H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403945
(CHEMBL314831)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)C1CCC1 Show InChI InChI=1S/C23H27BrN2O/c24-20-9-11-21(12-10-20)26(23(27)19-7-4-8-19)22-13-15-25(16-14-22)17-18-5-2-1-3-6-18/h1-3,5-6,9-12,19,22H,4,7-8,13-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50290513
(1-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1 Show InChI InChI=1S/C37H45FN4O4/c1-45-35-8-3-2-7-34(35)41-23-20-39(21-24-41)17-5-4-6-28-9-14-33-31(26-28)27-46-37(44)42(33)25-22-40-18-15-30(16-19-40)36(43)29-10-12-32(38)13-11-29/h2-3,7-14,26,30H,4-6,15-25,27H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403942
(CHEMBL310132)Show SMILES Clc1ccc(cc1Cl)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24Cl2N2O/c26-23-12-11-22(17-24(23)27)29(25(30)20-9-5-2-6-10-20)21-13-15-28(16-14-21)18-19-7-3-1-4-8-19/h1-12,17,21H,13-16,18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50290515
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)oc3c2)CC1 Show InChI InChI=1S/C36H43FN4O4/c1-44-33-8-3-2-7-31(33)40-23-20-38(21-24-40)17-5-4-6-27-9-14-32-34(26-27)45-36(43)41(32)25-22-39-18-15-29(16-19-39)35(42)28-10-12-30(37)13-11-28/h2-3,7-14,26,29H,4-6,15-25H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403943
(CHEMBL82512)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C23H23BrN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290505
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C35H41FN4O3S/c1-43-32-7-3-2-6-30(32)39-22-19-37(20-23-39)16-4-5-26-8-13-31-33(25-26)44-35(42)40(31)24-21-38-17-14-28(15-18-38)34(41)27-9-11-29(36)12-10-27/h2-3,6-13,25,28H,4-5,14-24H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290511
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C36H43FN4O3S/c1-44-33-8-3-2-7-31(33)40-23-20-38(21-24-40)17-5-4-6-27-9-14-32-34(26-27)45-36(43)41(32)25-22-39-18-15-29(16-19-39)35(42)28-10-12-30(37)13-11-28/h2-3,7-14,26,29H,4-6,15-25H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290505
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C35H41FN4O3S/c1-43-32-7-3-2-6-30(32)39-22-19-37(20-23-39)16-4-5-26-8-13-31-33(25-26)44-35(42)40(31)24-21-38-17-14-28(15-18-38)34(41)27-9-11-29(36)12-10-27/h2-3,6-13,25,28H,4-5,14-24H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403946
(CHEMBL83982)Show SMILES Oc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O2/c28-24-13-11-22(12-14-24)27(25(29)21-9-5-2-6-10-21)23-15-17-26(18-16-23)19-20-7-3-1-4-8-20/h1-14,23,28H,15-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50290505
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C35H41FN4O3S/c1-43-32-7-3-2-6-30(32)39-22-19-37(20-23-39)16-4-5-26-8-13-31-33(25-26)44-35(42)40(31)24-21-38-17-14-28(15-18-38)34(41)27-9-11-29(36)12-10-27/h2-3,6-13,25,28H,4-5,14-24H2,1H3 | PDB
KEGG
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290514
(3-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)oc3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46F2N4O3/c1-50-39-8-3-2-7-37(39)47-27-24-45(25-28-47)21-5-4-6-31-9-18-38-40(30-31)51-42(49)48(38)29-26-46-22-19-34(20-23-46)41(32-10-14-35(43)15-11-32)33-12-16-36(44)17-13-33/h2-3,7-18,30H,4-6,19-29H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403948
(CHEMBL82859)Show SMILES COc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H28N2O2/c1-30-25-14-12-23(13-15-25)28(26(29)22-10-6-3-7-11-22)24-16-18-27(19-17-24)20-21-8-4-2-5-9-21/h2-15,24H,16-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403939
(CHEMBL85391)Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C23H23ClN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2 | PDB
Reactome pathway
KEGG
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Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50290511
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C36H43FN4O3S/c1-44-33-8-3-2-7-31(33)40-23-20-38(21-24-40)17-5-4-6-27-9-14-32-34(26-27)45-36(43)41(32)25-22-39-18-15-29(16-19-39)35(42)28-10-12-30(37)13-11-28/h2-3,7-14,26,29H,4-6,15-25H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290512
(3-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)sc3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46F2N4O2S/c1-50-39-8-3-2-7-37(39)47-27-24-45(25-28-47)21-5-4-6-31-9-18-38-40(30-31)51-42(49)48(38)29-26-46-22-19-34(20-23-46)41(32-10-14-35(43)15-11-32)33-12-16-36(44)17-13-33/h2-3,7-18,30H,4-6,19-29H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50290512
(3-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)sc3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46F2N4O2S/c1-50-39-8-3-2-7-37(39)47-27-24-45(25-28-47)21-5-4-6-31-9-18-38-40(30-31)51-42(49)48(38)29-26-46-22-19-34(20-23-46)41(32-10-14-35(43)15-11-32)33-12-16-36(44)17-13-33/h2-3,7-18,30H,4-6,19-29H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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PC cid
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UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290510
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50290512
(3-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)sc3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46F2N4O2S/c1-50-39-8-3-2-7-37(39)47-27-24-45(25-28-47)21-5-4-6-31-9-18-38-40(30-31)51-42(49)48(38)29-26-46-22-19-34(20-23-46)41(32-10-14-35(43)15-11-32)33-12-16-36(44)17-13-33/h2-3,7-18,30H,4-6,19-29H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403940
(CHEMBL85892)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50290514
(3-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)oc3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46F2N4O3/c1-50-39-8-3-2-7-37(39)47-27-24-45(25-28-47)21-5-4-6-31-9-18-38-40(30-31)51-42(49)48(38)29-26-46-22-19-34(20-23-46)41(32-10-14-35(43)15-11-32)33-12-16-36(44)17-13-33/h2-3,7-18,30H,4-6,19-29H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290506
(1-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCN2C(=O)OCc3cc(CCCCN4CCOCC4)ccc23)CC1 Show InChI InChI=1S/C30H38FN3O4/c31-27-7-5-24(6-8-27)29(35)25-10-13-33(14-11-25)15-16-34-28-9-4-23(21-26(28)22-38-30(34)36)3-1-2-12-32-17-19-37-20-18-32/h4-9,21,25H,1-3,10-20,22H2 | PDB
Reactome pathway
KEGG
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UniChem
Similars
| Article
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290512
(3-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)sc3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46F2N4O2S/c1-50-39-8-3-2-7-37(39)47-27-24-45(25-28-47)21-5-4-6-31-9-18-38-40(30-31)51-42(49)48(38)29-26-46-22-19-34(20-23-46)41(32-10-14-35(43)15-11-32)33-12-16-36(44)17-13-33/h2-3,7-18,30H,4-6,19-29H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50290511
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C36H43FN4O3S/c1-44-33-8-3-2-7-31(33)40-23-20-38(21-24-40)17-5-4-6-27-9-14-32-34(26-27)45-36(43)41(32)25-22-39-18-15-29(16-19-39)35(42)28-10-12-30(37)13-11-28/h2-3,7-14,26,29H,4-6,15-25H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403944
(CHEMBL84993)Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25ClN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403941
(CHEMBL83459)Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C23H22BrN3O3S/c24-18-6-8-19(9-7-18)26(23(28)21-10-11-22(31-21)27(29)30)20-12-14-25(15-13-20)16-17-4-2-1-3-5-17/h1-11,20H,12-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50290509
(1-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3-[#7](-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)-[#6](=O)-[#8]-[#6]-c3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C43H48F2N4O3/c1-51-41-8-3-2-7-40(41)48-27-24-46(25-28-48)21-5-4-6-32-9-18-39-36(30-32)31-52-43(50)49(39)29-26-47-22-19-35(20-23-47)42(33-10-14-37(44)15-11-33)34-12-16-38(45)17-13-34/h2-3,7-18,30H,4-6,19-29,31H2,1H3 | PDB
Reactome pathway
KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290513
(1-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1 Show InChI InChI=1S/C37H45FN4O4/c1-45-35-8-3-2-7-34(35)41-23-20-39(21-24-41)17-5-4-6-28-9-14-33-31(26-28)27-46-37(44)42(33)25-22-40-18-15-30(16-19-40)36(43)29-10-12-32(38)13-11-29/h2-3,7-14,26,30H,4-6,15-25,27H2,1H3 | PDB
Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220556
(CHEMBL83363)Show InChI InChI=1S/C23H28N2O/c26-23(20-10-7-11-20)25(21-12-5-2-6-13-21)22-14-16-24(17-15-22)18-19-8-3-1-4-9-19/h1-6,8-9,12-13,20,22H,7,10-11,14-18H2 | PDB
Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290515
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)oc3c2)CC1 Show InChI InChI=1S/C36H43FN4O4/c1-44-33-8-3-2-7-31(33)40-23-20-38(21-24-40)17-5-4-6-27-9-14-32-34(26-27)45-36(43)41(32)25-22-39-18-15-29(16-19-39)35(42)28-10-12-30(37)13-11-28/h2-3,7-14,26,29H,4-6,15-25H2,1H3 | PDB
Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50290513
(1-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1 Show InChI InChI=1S/C37H45FN4O4/c1-45-35-8-3-2-7-34(35)41-23-20-39(21-24-41)17-5-4-6-28-9-14-33-31(26-28)27-46-37(44)42(33)25-22-40-18-15-30(16-19-40)36(43)29-10-12-32(38)13-11-29/h2-3,7-14,26,30H,4-6,15-25,27H2,1H3 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403945
(CHEMBL314831)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)C1CCC1 Show InChI InChI=1S/C23H27BrN2O/c24-20-9-11-21(12-10-20)26(23(27)19-7-4-8-19)22-13-15-25(16-14-22)17-18-5-2-1-3-6-18/h1-3,5-6,9-12,19,22H,4,7-8,13-17H2 | PDB
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| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50290510
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3 | PDB
Reactome pathway
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403942
(CHEMBL310132)Show SMILES Clc1ccc(cc1Cl)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24Cl2N2O/c26-23-12-11-22(17-24(23)27)29(25(30)20-9-5-2-6-10-20)21-13-15-28(16-14-21)18-19-7-3-1-4-8-19/h1-12,17,21H,13-16,18H2 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403947
(CHEMBL85996)Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C25H24BrClN2O/c26-21-8-12-23(13-9-21)29(25(30)20-6-10-22(27)11-7-20)24-14-16-28(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50290508
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCOCC4)cc3sc2=O)CC1 Show InChI InChI=1S/C29H36FN3O3S/c30-25-7-5-23(6-8-25)28(34)24-10-13-32(14-11-24)15-16-33-26-9-4-22(21-27(26)37-29(33)35)3-1-2-12-31-17-19-36-20-18-31/h4-9,21,24H,1-3,10-20H2 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor in rat choroid plexus using [3H]-N-methyl-mesulergine |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403943
(CHEMBL82512)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C23H23BrN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220523
(CHEMBL88078)Show InChI InChI=1S/C23H24N2OS/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2 | PDB
Reactome pathway
KEGG
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220555
(CHEMBL86309)Show SMILES O=C(Cc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C26H28N2O/c29-26(20-22-10-4-1-5-11-22)28(24-14-8-3-9-15-24)25-16-18-27(19-17-25)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2 | PDB
Reactome pathway
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220521
(CHEMBL87302)Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N2O/c28-25(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)24-16-18-26(19-17-24)20-21-10-4-1-5-11-21/h1-15,24H,16-20H2 | PDB
Reactome pathway
KEGG
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UniChem
Similars
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220522
(CHEMBL86012)Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H25ClN2O/c26-22-13-11-21(12-14-22)25(29)28(23-9-5-2-6-10-23)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
Reactome pathway
KEGG
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50290507
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1 Show InChI InChI=1S/C36H40F4N4O2S/c37-30-10-8-27(9-11-30)34(45)28-13-16-42(17-14-28)20-23-44-32-12-7-26(24-33(32)47-35(44)46)4-1-2-15-41-18-21-43(22-19-41)31-6-3-5-29(25-31)36(38,39)40/h3,5-12,24-25,28H,1-2,4,13-23H2 | PDB
Reactome pathway
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride |
Bioorg Med Chem Lett 7: 2579-2584 (1997)
Article DOI: 10.1016/S0960-894X(97)10023-3
BindingDB Entry DOI: 10.7270/Q2QN66SR |
More data for this
Ligand-Target Pair | |
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