Compile Data Set for Download or QSAR

Found 82 hits of ic50 for UniProtKB: P31648   

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 (Mus musculus)	BDBM50426075 (CHEMBL473104) Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |t:3| Show InChI InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50426072 (CHEMBL1190520) Show SMILES OC(=O)[C@@H]1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 |r| Show InChI InChI=1S/C23H29NO3/c25-23(26)21-12-7-14-24(18-21)15-17-27-16-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50426074 (CHEMBL2315957) Show SMILES OC(=O)[C@@H]1CCCN(CCO\N=C(/Cc2ccccc2F)c2ccccc2F)C1 |r| Show InChI InChI=1S/C22H24F2N2O3/c23-19-9-3-1-6-16(19)14-21(18-8-2-4-10-20(18)24)25-29-13-12-26-11-5-7-17(15-26)22(27)28/h1-4,6,8-10,17H,5,7,11-15H2,(H,27,28)/b25-21+/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50368628 (ABT-569 | Abbott-70569 | Abbott-70569.1 | Gabitril...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] 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 GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50426073 (CHEMBL2315958) Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccccc2-c2ccccc2)C1 |r| Show InChI InChI=1S/C22H27NO3/c24-22(25)20-10-6-13-23(17-20)14-16-26-15-12-19-9-4-5-11-21(19)18-7-2-1-3-8-18/h1-5,7-9,11,20H,6,10,12-17H2,(H,24,25)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50003634 (1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxyli...) Show SMILES [#8]-[#6](=O)-[#6]-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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304268 ((S)-2-(1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-19(14)17(20-15(2)8-12-25-20)6-4-10-21-9-3-5-16(21)13-18(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304266 ((S)-2-(1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl)a...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-22(25)17-20-13-7-15-23(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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304267 ((S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)py...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C19H23NO2S2/c1-13-7-11-23-17(13)15(18-14(2)8-12-24-18)5-3-9-20-10-4-6-16(20)19(21)22/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3,(H,21,22)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis				J Med Chem 56: 2160-4 (2013) Article DOI: 10.1021/jm301872x BindingDB Entry DOI: 10.7270/Q2G73G26
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50371220 (CHEMBL538839) Show SMILES OC(=O)C1CCCN(CCS(=O)C(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C21H25NO3S/c23-21(24)19-12-7-13-22(16-19)14-15-26(25)20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50371217 (CHEMBL558578) Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)CCN1CCCC(C1)C(O)=O Show InChI InChI=1S/C23H29NO3S/c1-17-5-9-19(10-6-17)22(20-11-7-18(2)8-12-20)28(27)15-14-24-13-3-4-21(16-24)23(25)26/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304265 ((S)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carbox...) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H23NO2/c23-21(24)20-14-8-16-22(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20H,7-8,14-16H2,(H,23,24)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304263 (2-((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H](F)-[#6]-[#6@@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H24FNO2S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-22-12-15(21)10-16(22)11-18(23)24/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304271 (2-((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304270 (2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyr...) Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |r| Show InChI InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304261 (2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-fluoropyrr...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H24FNO2/c23-19-14-20(15-22(25)26)24(16-19)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20H,7,13-16H2,(H,25,26)/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50343258 (4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...) Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)| Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304272 (2-((2S,4S)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyr...) Show SMILES [#8]-[#6@H]-1-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |r| Show InChI InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304264 (2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@@H](F)-[#6]-[#6@@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H24FNO2S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-22-12-15(21)10-16(22)11-18(23)24/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304273 (2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304262 (2-((2S,4S)-1-(4,4-diphenylbut-3-enyl)-4-fluoropyrr...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H]-1-[#6]-[#6@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H24FNO2/c23-19-14-20(15-22(25)26)24(16-19)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50343258 (4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...) Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)| Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis				J Med Chem 56: 2160-4 (2013) Article DOI: 10.1021/jm301872x BindingDB Entry DOI: 10.7270/Q2G73G26
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50003624 ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) Show SMILES OC(=O)C1CCCNC1 Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50426076 (CHEMBL2315983) Show SMILES Fc1cc(F)c(c(F)c1)-c1ccccc1C=O |(56.69,-57.91,;55.36,-57.14,;54.02,-57.91,;52.69,-57.14,;51.36,-57.92,;52.69,-55.6,;54.02,-54.83,;54.01,-53.29,;55.35,-55.59,;51.36,-54.84,;50.03,-55.61,;48.69,-54.84,;48.69,-53.29,;50.02,-52.52,;51.36,-53.29,;52.69,-52.51,;52.68,-50.97,)| Show InChI InChI=1S/C13H7F3O/c14-9-5-11(15)13(12(16)6-9)10-4-2-1-3-8(10)7-17/h1-7H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 expressed in HEK293 cells membranes using LC-ESI-MS/MS analysis by [2H10]NO711 binding inhibition assay				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50419338 (CHEMBL1446457) Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Bioorg Med Chem 19: 6492-504 (2011) Article DOI: 10.1016/j.bmc.2011.08.039 BindingDB Entry DOI: 10.7270/Q2154JB8
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50213498 ((R)-1-(3-(benzhydrylthio)propyl)piperidine-3-carbo...) Show SMILES OC(=O)[C@@H]1CCCN(CCCSC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C22H27NO2S/c24-22(25)20-13-7-14-23(17-20)15-8-16-26-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,24,25)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM90787 (1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...) Show SMILES OC(=O)C1=CCCNC1 |t:3| Show InChI InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians University at Munich Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis				J Med Chem 56: 1323-40 (2013) Article DOI: 10.1021/jm301800j BindingDB Entry DOI: 10.7270/Q2CZ38HV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304276 ((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-eny...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H](F)-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C19H22FNO2S2/c1-12-5-8-24-17(12)15(18-13(2)6-9-25-18)4-3-7-21-11-14(20)10-16(21)19(22)23/h4-6,8-9,14,16H,3,7,10-11H2,1-2H3,(H,22,23)/t14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50213501 ((R)-1-(3-(dip-tolylmethylthio)propyl)piperidine-3-...) Show SMILES Cc1ccc(cc1)C(SCCCN1CCC[C@H](C1)C(O)=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H31NO2S/c1-18-6-10-20(11-7-18)23(21-12-8-19(2)9-13-21)28-16-4-15-25-14-3-5-22(17-25)24(26)27/h6-13,22-23H,3-5,14-17H2,1-2H3,(H,26,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50213497 ((3R)-1-(3-((2,3-dimethylphenyl)(o-tolyl)methylthio...) Show SMILES Cc1cccc(C(SCCCN2CCC[C@H](C2)C(O)=O)c2ccccc2C)c1C |w:6.6| Show InChI InChI=1S/C25H33NO2S/c1-18-10-6-13-23(20(18)3)24(22-12-5-4-9-19(22)2)29-16-8-15-26-14-7-11-21(17-26)25(27)28/h4-6,9-10,12-13,21,24H,7-8,11,14-17H2,1-3H3,(H,27,28)/t21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304260 ((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-eny...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@@H](F)-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C19H22FNO2S2/c1-12-5-8-24-17(12)15(18-13(2)6-9-25-18)4-3-7-21-11-14(20)10-16(21)19(22)23/h4-6,8-9,14,16H,3,7,10-11H2,1-2H3,(H,22,23)/t14-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50320523 (1-(3-(9H-carbazol-9-yl)propyl)-4-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 Show InChI InChI=1S/C27H30N2O2/c1-31-22-13-11-21(12-14-22)27(30)15-19-28(20-16-27)17-6-18-29-25-9-4-2-7-23(25)24-8-3-5-10-26(24)29/h2-5,7-14,30H,6,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50419338 (CHEMBL1446457) Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1 Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in BHK cells				Bioorg Med Chem 19: 6492-504 (2011) Article DOI: 10.1016/j.bmc.2011.08.039 BindingDB Entry DOI: 10.7270/Q2154JB8
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304274 ((2S,4R)-1-(4,4-diphenyl-3-butenyl)-4-fluoropyrroli...) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H22FNO2/c22-18-14-20(21(24)25)23(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50026409 (5-Amino-Pentanoic Acid | 5-Aminopentanoic Acid | 5...) Show SMILES NCCCCC(O)=O Show InChI InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304269 ((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrol...) Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@H](-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C21H23NO3/c23-18-14-20(21(24)25)22(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20,23H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50039246 ((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50304275 ((2S,4S)-1-(4,4-Diphenyl-but-3-enyl)-4-fluoro-pyrro...) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H22FNO2/c22-18-14-20(21(24)25)23(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20H,7,13-15H2,(H,24,25)/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting				Bioorg Med Chem 17: 6540-6 (2009) Article DOI: 10.1016/j.bmc.2009.08.010 BindingDB Entry DOI: 10.7270/Q26110DK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50371219 (CHEMBL536762) Show SMILES Cc1cccc(C(c2ccccc2C)S(=O)CCN2CCCC(C2)C(O)=O)c1C Show InChI InChI=1S/C24H31NO3S/c1-17-9-6-12-22(19(17)3)23(21-11-5-4-8-18(21)2)29(28)15-14-25-13-7-10-20(16-25)24(26)27/h4-6,8-9,11-12,20,23H,7,10,13-16H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50026418 (CHEMBL1773947) Show SMILES OC(=O)CCCn1ccnc1 Show InChI InChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50213503 ((R)-1-(3-(bis(4-methoxyphenyl)methylthio)propyl)pi...) Show SMILES COc1ccc(cc1)C(SCCCN1CCC[C@H](C1)C(O)=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H31NO4S/c1-28-21-10-6-18(7-11-21)23(19-8-12-22(29-2)13-9-19)30-16-4-15-25-14-3-5-20(17-25)24(26)27/h6-13,20,23H,3-5,14-17H2,1-2H3,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50026417 (CHEMBL1773946) Show SMILES Cl.OC(=O)\C=C\CCc1c[nH]cn1 Show InChI InChI=1S/C8H10N2O2/c11-8(12)4-2-1-3-7-5-9-6-10-7/h2,4-6H,1,3H2,(H,9,10)(H,11,12)/b4-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50213502 ((R)-1-(2-(dip-tolylmethylthio)ethyl)piperidine-3-c...) Show SMILES Cc1ccc(cc1)C(SCCN1CCC[C@H](C1)C(O)=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H29NO2S/c1-17-5-9-19(10-6-17)22(20-11-7-18(2)8-12-20)27-15-14-24-13-3-4-21(16-24)23(25)26/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells				Bioorg Med Chem Lett 17: 3769-73 (2007) Article DOI: 10.1016/j.bmcl.2007.04.010 BindingDB Entry DOI: 10.7270/Q2W66MMJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Mus musculus)	BDBM50427390 (CHEMBL2326022) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C22H29NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h8,10-11,13-14,17,19H,4-7,9,12H2,1-3H3,(H,24,25)/t17-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis				J Med Chem 56: 2160-4 (2013) Article DOI: 10.1021/jm301872x BindingDB Entry DOI: 10.7270/Q2G73G26
					More data for this Ligand-Target Pair

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