Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'greco' and Initial = 'e'   

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
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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM50417647 (CHEMBL1642409) Show SMILES [#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r| Show InChI InChI=1S/C20H23NO2S2/c1-12-5-7-17(24-12)14(18-8-6-13(2)25-18)4-3-9-21-10-15-16(11-21)19(15)20(22)23/h4-8,15-16,19H,3,9-11H2,1-2H3,(H,22,23)/t15-,16+,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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))	BDBM50417654 (CHEMBL1642410) Show SMILES [#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@@H]-2-[#6@H](-[#6]-1)-[#6@@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r| Show InChI InChI=1S/C21H25NO2S2/c1-13-5-7-18(25-13)16(19-8-6-14(2)26-19)4-3-10-22-11-9-15-17(12-22)20(15)21(23)24/h4-8,15,17,20H,3,9-12H2,1-2H3,(H,23,24)/t15-,17+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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))	BDBM50417646 (CHEMBL1642408) Show SMILES [#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r| Show InChI InChI=1S/C20H23NO2S2/c1-12-5-7-17(24-12)14(18-8-6-13(2)25-18)4-3-9-21-10-15-16(11-21)19(15)20(22)23/h4-8,15-16,19H,3,9-11H2,1-2H3,(H,22,23)/t15-,16+,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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))	BDBM50417645 (CHEMBL1642406) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccc(-[#6])s1)-c1ccc(-[#6])s1)-[#6@H]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C21H27NO2S2/c1-14-9-11-19(25-14)17(20-12-10-15(2)26-20)7-5-13-22(3)18-8-4-6-16(18)21(23)24/h7,9-12,16,18H,4-6,8,13H2,1-3H3,(H,23,24)/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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))	BDBM50417648 (CHEMBL1642411) Show SMILES [#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r| Show InChI InChI=1S/C21H25NO2S2/c1-13-5-7-18(25-13)16(19-8-6-14(2)26-19)4-3-10-22-11-9-15-17(12-22)20(15)21(23)24/h4-8,15,17,20H,3,9-12H2,1-2H3,(H,23,24)/t15-,17+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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

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