Found 63 hits of ki data for polymerid = 50000110 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50334247
((R,E)-1-(4-(2-fluorophenyl)-4-o-tolylbut-3-enyl)pi...)Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r| Show InChI InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039251
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 17.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417649
(CHEMBL1642396)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2Cl)C1 |r| Show InChI InChI=1S/C22H23ClFNO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/b17-10+/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417641
(CHEMBL1642400)Show SMILES Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r| Show InChI InChI=1S/C23H25F2NO2/c1-16-14-18(24)10-11-19(16)20(21-7-2-3-9-22(21)25)8-5-13-26-12-4-6-17(15-26)23(27)28/h2-3,7-11,14,17H,4-6,12-13,15H2,1H3,(H,27,28)/b20-8+/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417627
(CHEMBL1642378)Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H27NO2/c1-18-9-5-6-13-21(18)22(19-10-3-2-4-11-19)14-8-16-24-15-7-12-20(17-24)23(25)26/h2-6,9-11,13-14,20H,7-8,12,15-17H2,1H3,(H,25,26)/b22-14-/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417639
(CHEMBL1642397)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2Br)C1 |r| Show InChI InChI=1S/C22H23BrFNO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/b17-10+/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417626
(CHEMBL1642376)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2Br)C1 |r| Show InChI InChI=1S/C22H24BrNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12-/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417628
(CHEMBL1642379)Show SMILES CCc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15-/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417631
(CHEMBL1642384)Show SMILES Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10-/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417638
(CHEMBL1642395)Show SMILES CCc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r| Show InChI InChI=1S/C24H28FNO2/c1-2-18-9-3-4-11-20(18)21(22-12-5-6-14-23(22)25)13-8-16-26-15-7-10-19(17-26)24(27)28/h3-6,9,11-14,19H,2,7-8,10,15-17H2,1H3,(H,27,28)/b21-13+/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417642
(CHEMBL1642401)Show SMILES Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C24H25F4NO2/c1-16-14-18(25)10-11-19(16)20(21-7-2-3-9-22(21)24(26,27)28)8-5-13-29-12-4-6-17(15-29)23(30)31/h2-3,7-11,14,17H,4-6,12-13,15H2,1H3,(H,30,31)/b20-8+/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417625
(CHEMBL1642375)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2Cl)C1 |r| Show InChI InChI=1S/C22H24ClNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12-/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417637
(CHEMBL1642394)Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |r| Show InChI InChI=1S/C24H29NO2/c1-18-9-3-5-12-21(18)23(22-13-6-4-10-19(22)2)14-8-16-25-15-7-11-20(17-25)24(26)27/h3-6,9-10,12-14,20H,7-8,11,15-17H2,1-2H3,(H,26,27)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417666
(CHEMBL1642388)Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2F)-c2ccccc2F)-[#6]-1 |r| Show InChI InChI=1S/C22H23F2NO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039251
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417640
(CHEMBL1642398)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2OC(F)(F)F)C1 |r| Show InChI InChI=1S/C23H23F4NO3/c24-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)31-23(25,26)27)10-6-14-28-13-5-7-16(15-28)22(29)30/h1-4,8-12,16H,5-7,13-15H2,(H,29,30)/b17-10-/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 52.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417650
(CHEMBL1642399)Show SMILES COc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r| Show InChI InChI=1S/C23H26FNO3/c1-28-22-13-5-3-10-20(22)18(19-9-2-4-12-21(19)24)11-7-15-25-14-6-8-17(16-25)23(26)27/h2-5,9-13,17H,6-8,14-16H2,1H3,(H,26,27)/b18-11-/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417629
(CHEMBL1642381)Show SMILES COc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H27NO3/c1-27-22-14-6-5-12-21(22)20(18-9-3-2-4-10-18)13-8-16-24-15-7-11-19(17-24)23(25)26/h2-6,9-10,12-14,19H,7-8,11,15-17H2,1H3,(H,25,26)/b20-13-/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417630
(CHEMBL1642382)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2OC(F)(F)F)C1 |r| Show InChI InChI=1S/C23H24F3NO3/c24-23(25,26)30-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12-/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 58.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417635
(CHEMBL1642391)Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl |r| Show InChI InChI=1S/C23H26ClNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 61.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063498
(CHEMBL3398501)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H25NO3S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-21-10-4-6-16(21)17(22)20(23)24/h5,7-8,11-12,16-17,22H,3-4,6,9-10H2,1-2H3,(H,23,24)/t16-,17+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417659
(CHEMBL1642374)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2F)C1 |r| Show InChI InChI=1S/C22H24FNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12-/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 69.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417665
(CHEMBL1642393)Show SMILES COc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C |r| Show InChI InChI=1S/C24H29NO3/c1-18-9-3-4-11-20(18)21(22-12-5-6-14-23(22)28-2)13-8-16-25-15-7-10-19(17-25)24(26)27/h3-6,9,11-14,19H,7-8,10,15-17H2,1-2H3,(H,26,27)/b21-13+/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417663
(CHEMBL1642386)Show SMILES Cc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r| Show InChI InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12-/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 72.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50020891
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1 Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 72.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417632
(CHEMBL1642385)Show SMILES Cc1cccc(C)c1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H29NO2/c1-18-9-6-10-19(2)23(18)22(20-11-4-3-5-12-20)14-8-16-25-15-7-13-21(17-25)24(26)27/h3-6,9-12,14,21H,7-8,13,15-17H2,1-2H3,(H,26,27)/b22-14-/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 77.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417633
(CHEMBL1642387)Show SMILES CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r| Show InChI InChI=1S/C24H28FNO2/c1-2-18-9-3-4-11-20(18)21(22-12-5-6-14-23(22)25)13-8-16-26-15-7-10-19(17-26)24(27)28/h3-6,9,11-14,19H,2,7-8,10,15-17H2,1H3,(H,27,28)/b21-13-/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417620
(CHEMBL1642367)Show SMILES Cc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H27NO2/c1-18-9-5-6-13-21(18)22(19-10-3-2-4-11-19)14-8-16-24-15-7-12-20(17-24)23(25)26/h2-6,9-11,13-14,20H,7-8,12,15-17H2,1H3,(H,25,26)/b22-14+/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 93.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417660
(CHEMBL1642377)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2C(F)(F)F)C1 |r| Show InChI InChI=1S/C23H24F3NO2/c24-23(25,26)21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12-/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 93.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417621
(CHEMBL1642368)Show SMILES CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15+/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417651
(CHEMBL1642402)Show SMILES [#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]C(F)([#6]-1)[#6](-[#8])=O)\c1ccc(-[#6])s1 Show InChI InChI=1S/C20H24FNO2S2/c1-14-6-8-17(25-14)16(18-9-7-15(2)26-18)5-3-11-22-12-4-10-20(21,13-22)19(23)24/h5-9H,3-4,10-13H2,1-2H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417664
(CHEMBL1642389)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2F)c2ccccc2Cl)C1 |r| Show InChI InChI=1S/C22H23ClFNO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/b17-10-/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417618
(CHEMBL1642364)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2Cl)C1 |r| Show InChI InChI=1S/C22H24ClNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417619
(CHEMBL1642365)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2Br)C1 |r| Show InChI InChI=1S/C22H24BrNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063503
(CHEMBL3398499)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C22H25NO3/c24-21(22(25)26)20-14-8-16-23(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20-21,24H,7-8,14-16H2,(H,25,26)/t20-,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417662
(CHEMBL1642383)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2c(F)cccc2F)C1 |r| Show InChI InChI=1S/C22H23F2NO2/c23-19-11-4-12-20(24)21(19)18(16-7-2-1-3-8-16)10-6-14-25-13-5-9-17(15-25)22(26)27/h1-4,7-8,10-12,17H,5-6,9,13-15H2,(H,26,27)/b18-10-/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417634
(CHEMBL1642390)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2F)c2ccccc2C(F)(F)F)C1 |r| Show InChI InChI=1S/C23H23F4NO2/c24-21-12-4-2-9-19(21)17(18-8-1-3-11-20(18)23(25,26)27)10-6-14-28-13-5-7-16(15-28)22(29)30/h1-4,8-12,16H,5-7,13-15H2,(H,29,30)/b17-10-/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417655
(CHEMBL1642363)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2F)C1 |r| Show InChI InChI=1S/C22H24FNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 372 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417622
(CHEMBL1642370)Show SMILES COc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H27NO3/c1-27-22-14-6-5-12-21(22)20(18-9-3-2-4-10-18)13-8-16-24-15-7-11-19(17-24)23(25)26/h2-6,9-10,12-14,19H,7-8,11,15-17H2,1H3,(H,25,26)/b20-13+/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 372 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417624
(CHEMBL1642373)Show SMILES Cc1cc(F)ccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10+/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417636
(CHEMBL1642392)Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C24H26F3NO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24(25,26)27)12-7-15-28-14-6-9-18(16-28)23(29)30/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,29,30)/b20-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417623
(CHEMBL1642371)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2OC(F)(F)F)C1 |r| Show InChI InChI=1S/C23H24F3NO3/c24-23(25,26)30-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417657
(CHEMBL1642369)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2-c2ccccc2)C1 |r| Show InChI InChI=1S/C28H29NO2/c30-28(31)24-15-9-19-29(21-24)20-10-18-26(23-13-5-2-6-14-23)27-17-8-7-16-25(27)22-11-3-1-4-12-22/h1-8,11-14,16-18,24H,9-10,15,19-21H2,(H,30,31)/b26-18+/t24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417658
(CHEMBL1642372)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2c(F)cccc2F)C1 |r| Show InChI InChI=1S/C22H23F2NO2/c23-19-11-4-12-20(24)21(19)18(16-7-2-1-3-8-16)10-6-14-25-13-5-9-17(15-25)22(26)27/h1-4,7-8,10-12,17H,5-6,9,13-15H2,(H,26,27)/b18-10+/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417643
(CHEMBL1642403)Show SMILES [#8]-[#6](=O)C1(F)[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]1 Show InChI InChI=1S/C22H24FNO2/c23-22(21(25)26)14-8-16-24(17-22)15-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-13H,7-8,14-17H2,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417661
(CHEMBL1642380)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2-c2ccccc2)C1 |r| Show InChI InChI=1S/C28H29NO2/c30-28(31)24-15-9-19-29(21-24)20-10-18-26(23-13-5-2-6-14-23)27-17-8-7-16-25(27)22-11-3-1-4-12-22/h1-8,11-14,16-18,24H,9-10,15,19-21H2,(H,30,31)/b26-18-/t24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063508
(CHEMBL3398500)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H25NO3S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-21-10-4-6-16(21)17(22)20(23)24/h5,7-8,11-12,16-17,22H,3-4,6,9-10H2,1-2H3,(H,23,24)/t16-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417656
(CHEMBL1642366)Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2C(F)(F)F)C1 |r| Show InChI InChI=1S/C23H24F3NO2/c24-23(25,26)21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12+/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50417644
(CHEMBL1642404)Show SMILES [#6]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#7]-2-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1 |r,TLB:11:10:3.4.5:8.7| Show InChI InChI=1S/C25H29NO/c1-19(27)23-16-14-22-15-17-25(23)26(22)18-8-13-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-13,22-23,25H,8,14-18H2,1H3/t22-,23-,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
Bioorg Med Chem Lett 21: 602-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063511
(CHEMBL3398498)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C22H25NO3/c24-21(22(25)26)20-14-8-16-23(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20-21,24H,7-8,14-16H2,(H,25,26)/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |