Found 61 hits with Last Name = 'humphries' and Initial = 'ac' 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 |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50179929
(2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...)Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3 | GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells |
Bioorg Med Chem Lett 16: 1518-22 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169847
(4-(4-Azetidin-1-yl-benzenesulfonyl)-1-[2-(2,4-difl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1 Show InChI InChI=1S/C22H25F3N2O2S/c23-18-3-2-17(21(24)16-18)8-13-26-14-9-22(25,10-15-26)30(28,29)20-6-4-19(5-7-20)27-11-1-12-27/h2-7,16H,1,8-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169848
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fl...)Show SMILES Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-2-1-3-17(12-15)27(25,26)19(23)7-10-24(11-8-19)9-6-14-4-5-16(21)13-18(14)22/h1-5,12-13H,6-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50179929
(2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...)Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells |
Bioorg Med Chem Lett 16: 1518-22 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169840
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-6-5-14(17(22)13-15)7-10-24-11-8-19(23,9-12-24)27(25,26)18-4-2-1-3-16(18)21/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169842
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50108699
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50179931
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells |
Bioorg Med Chem Lett 16: 1518-22 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169846
(2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluo...)Show SMILES Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H19F2NO3S/c20-14-6-7-17(18(21)12-14)19(23)13-22-10-8-16(9-11-22)26(24,25)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169842
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169841
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169844
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-[1...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2ccnn2)c(F)c1 Show InChI InChI=1S/C21H21F3N4O2S/c22-17-2-1-16(20(23)15-17)7-11-27-12-8-21(24,9-13-27)31(29,30)19-5-3-18(4-6-19)28-14-10-25-26-28/h1-6,10,14-15H,7-9,11-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169838
(4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H20F3NO2S/c20-16-7-6-15(18(21)14-16)8-11-23-12-9-19(22,10-13-23)26(24,25)17-4-2-1-3-5-17/h1-7,14H,8-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50179931
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3 | GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells |
Bioorg Med Chem Lett 16: 1518-22 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169847
(4-(4-Azetidin-1-yl-benzenesulfonyl)-1-[2-(2,4-difl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1 Show InChI InChI=1S/C22H25F3N2O2S/c23-18-3-2-17(21(24)16-18)8-13-26-14-9-22(25,10-15-26)30(28,29)20-6-4-19(5-7-20)27-11-1-12-27/h2-7,16H,1,8-15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169839
(4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169845
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1 Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169845
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1 Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169846
(2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluo...)Show SMILES Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H19F2NO3S/c20-14-6-7-17(18(21)12-14)19(23)13-22-10-8-16(9-11-22)26(24,25)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169839
(4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50179930
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)Show SMILES CC(C)(O)c1ccn2c(cnc2c1)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H18FN3O/c1-23(2,28)17-9-10-27-21(14-26-22(27)12-17)15-7-8-20(24)19(11-15)18-6-4-3-5-16(18)13-25/h3-12,14,28H,1-2H3 | GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells |
Bioorg Med Chem Lett 16: 1518-22 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50179930
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)Show SMILES CC(C)(O)c1ccn2c(cnc2c1)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H18FN3O/c1-23(2,28)17-9-10-27-21(14-26-22(27)12-17)15-7-8-20(24)19(11-15)18-6-4-3-5-16(18)13-25/h3-12,14,28H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells |
Bioorg Med Chem Lett 16: 1518-22 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169840
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-6-5-14(17(22)13-15)7-10-24-11-8-19(23,9-12-24)27(25,26)18-4-2-1-3-16(18)21/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169838
(4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H20F3NO2S/c20-16-7-6-15(18(21)14-16)8-11-23-12-9-19(22,10-13-23)26(24,25)17-4-2-1-3-5-17/h1-7,14H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169848
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fl...)Show SMILES Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-2-1-3-17(12-15)27(25,26)19(23)7-10-24(11-8-19)9-6-14-4-5-16(21)13-18(14)22/h1-5,12-13H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50108699
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169846
(2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluo...)Show SMILES Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H19F2NO3S/c20-14-6-7-17(18(21)12-14)19(23)13-22-10-8-16(9-11-22)26(24,25)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169842
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169840
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-6-5-14(17(22)13-15)7-10-24-11-8-19(23,9-12-24)27(25,26)18-4-2-1-3-16(18)21/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169842
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 313 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169841
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 397 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human IKr channel |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169841
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169840
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-6-5-14(17(22)13-15)7-10-24-11-8-19(23,9-12-24)27(25,26)18-4-2-1-3-16(18)21/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human IKr channel |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50108699
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human IKr channel |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169848
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fl...)Show SMILES Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-2-1-3-17(12-15)27(25,26)19(23)7-10-24(11-8-19)9-6-14-4-5-16(21)13-18(14)22/h1-5,12-13H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 791 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169847
(4-(4-Azetidin-1-yl-benzenesulfonyl)-1-[2-(2,4-difl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1 Show InChI InChI=1S/C22H25F3N2O2S/c23-18-3-2-17(21(24)16-18)8-13-26-14-9-22(25,10-15-26)30(28,29)20-6-4-19(5-7-20)27-11-1-12-27/h2-7,16H,1,8-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 844 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169839
(4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 863 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169841
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169838
(4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H20F3NO2S/c20-16-7-6-15(18(21)14-16)8-11-23-12-9-19(22,10-13-23)26(24,25)17-4-2-1-3-5-17/h1-7,14H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human IKr channel |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human IKr channel |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169839
(4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169846
(2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluo...)Show SMILES Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H19F2NO3S/c20-14-6-7-17(18(21)12-14)19(23)13-22-10-8-16(9-11-22)26(24,25)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50108699
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169848
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fl...)Show SMILES Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-2-1-3-17(12-15)27(25,26)19(23)7-10-24(11-8-19)9-6-14-4-5-16(21)13-18(14)22/h1-5,12-13H,6-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human IKr channel |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50169845
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1 Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D2 |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |