Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50001479   

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 (Rattus norvegicus)	BDBM50281157 (CHEMBL4167871) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/b28-27+/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280945 (CHEMBL4170661) Show SMILES OC(=O)C1CCCN(CCC#Cc2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C22H23NO2/c24-22(25)20-13-8-16-23(17-20)15-7-6-12-19-11-4-5-14-21(19)18-9-2-1-3-10-18/h1-5,9-11,14,20H,7-8,13,15-17H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280956 (CHEMBL4173921) Show SMILES OC(=O)C1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/b28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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	132	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 assessed as reduction in GABA uptake				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280893 (CHEMBL4163014) Show SMILES OC(=O)C1CCCN(CC\C=C\c2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-8-16-23(17-20)15-7-6-12-19-11-4-5-14-21(19)18-9-2-1-3-10-18/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/b12-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280890 (CHEMBL4171083) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281154 (CHEMBL4163857) Show SMILES OC(=O)C1CCCN(CCC#Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	229	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280952 (CHEMBL4166168) Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2cccc(c2)N=Nc2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H29N3O3/c30-26(31)22-9-5-14-29(19-22)15-17-32-16-13-20-6-3-10-23(18-20)27-28-25-12-4-8-21-7-1-2-11-24(21)25/h1-4,6-8,10-12,18,22H,5,9,13-17,19H2,(H,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	407	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 assessed as reduction in GABA uptake				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281072 (CHEMBL4167770) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)N=Nc2ccccc2)C1 |r| Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-3,6,9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280892 (CHEMBL4159830) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)\N=N\c2ccccc2)C1 |r| Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-8-6-16-25(17-19)15-5-4-7-18-11-13-21(14-12-18)24-23-20-9-2-1-3-10-20/h1-3,9-14,19H,5-6,8,15-17H2,(H,26,27)/b24-23+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281162 (CHEMBL4161817) Show SMILES OC(=O)C1CCCN(CCC#Cc2ccc(cc2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-8-6-16-25(17-19)15-5-4-7-18-11-13-21(14-12-18)24-23-20-9-2-1-3-10-20/h1-3,9-14,19H,5-6,8,15-17H2,(H,26,27)/b24-23+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281036 (CHEMBL4163216) Show SMILES OC(=O)C1CCCN(CCC#Cc2cccc(c2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-3,6,9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	891	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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281161 (CHEMBL4174519) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)N=Nc2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-2,5-6,9-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281153 (CHEMBL4169263) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)N=Nc2ccccc2)C1 |r| Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-8-6-16-25(17-19)15-5-4-7-18-11-13-21(14-12-18)24-23-20-9-2-1-3-10-20/h1-3,9-14,19H,5-6,8,15-17H2,(H,26,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280952 (CHEMBL4166168) Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2cccc(c2)N=Nc2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H29N3O3/c30-26(31)22-9-5-14-29(19-22)15-17-32-16-13-20-6-3-10-23(18-20)27-28-25-12-4-8-21-7-1-2-11-24(21)25/h1-4,6-8,10-12,18,22H,5,9,13-17,19H2,(H,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+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 assessed as reduction in GABA uptake using photoirradiated compound				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280949 (CHEMBL4161336) Show SMILES OC(=O)C1CCCN(CCC#Cc2cccc(c2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-2,5-6,9-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280894 (CHEMBL4159851) Show SMILES OC(=O)C1CCCN(CCC#Cc2ccc(cc2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-8-6-16-25(17-19)15-5-4-7-18-11-13-21(14-12-18)24-23-20-9-2-1-3-10-20/h1-3,9-14,19H,5-6,8,15-17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280957 (CHEMBL4167823) Show SMILES OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C27H27N3O2/c31-27(32)23-11-7-19-30(20-23)18-5-1-2-8-21-14-16-24(17-15-21)28-29-26-13-6-10-22-9-3-4-12-25(22)26/h3-4,6,9-10,12-17,23H,1,5,7,11,18-20H2,(H,31,32)/b29-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281155 (CHEMBL4160482) Show SMILES OC(=O)C1CCCN(CCCC#Cc2cccc(c2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C23H25N3O2/c27-23(28)20-11-8-16-26(18-20)15-6-2-3-9-19-10-7-14-22(17-19)25-24-21-12-4-1-5-13-21/h1,4-5,7,10,12-14,17,20H,2,6,8,11,15-16,18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.07E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280942 (CHEMBL4163202) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-2,5-6,9-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)/b28-27+/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280958 (CHEMBL4175284) Show SMILES OC(=O)C1CCCN(CCC=Cc2cccc(c2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C22H25N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-4,6,8-9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280895 (CHEMBL4159398) Show SMILES OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C27H27N3O2/c31-27(32)23-11-7-19-30(20-23)18-5-1-2-8-21-14-16-24(17-15-21)28-29-26-13-6-10-22-9-3-4-12-25(22)26/h3-4,6,9-10,12-17,23H,1,5,7,11,18-20H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280888 (CHEMBL4160576) Show SMILES OC(=O)C1CCCN(CCC\C=C\c2ccc(cc2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C23H27N3O2/c27-23(28)20-9-7-17-26(18-20)16-6-2-3-8-19-12-14-22(15-13-19)25-24-21-10-4-1-5-11-21/h1,3-5,8,10-15,20H,2,6-7,9,16-18H2,(H,27,28)/b8-3+,25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280944 (CHEMBL4163819) Show SMILES OC(=O)C1CCCN(CCC=Cc2cccc(c2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C26H27N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-3,5-6,8-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.89E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280948 (CHEMBL4171135) Show SMILES OC(=O)C1CCCN(CCCC=Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C27H29N3O2/c31-27(32)23-11-7-19-30(20-23)18-5-1-2-8-21-14-16-24(17-15-21)28-29-26-13-6-10-22-9-3-4-12-25(22)26/h2-4,6,8-10,12-17,23H,1,5,7,11,18-20H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.17E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280950 (CHEMBL4170485) Show SMILES OC(=O)C1CCCN(CCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-2,5-6,9-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)/b28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020883 ((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...) Show SMILES OC(=O)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1	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	6.46E+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 assessed as reduction in GABA uptake				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280946 (CHEMBL4167412) Show SMILES OC(=O)C1CCCN(CCC\C=C\c2ccc(cc2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C27H29N3O2/c31-27(32)23-11-7-19-30(20-23)18-5-1-2-8-21-14-16-24(17-15-21)28-29-26-13-6-10-22-9-3-4-12-25(22)26/h2-4,6,8-10,12-17,23H,1,5,7,11,18-20H2,(H,31,32)/b8-2+,29-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280880 (CHEMBL4172504) Show SMILES OC(=O)C1CCCN(CCC=Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C26H27N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-3,5,7-9,11-16,22H,4,6,10,17-19H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.41E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280941 (CHEMBL4171186) Show SMILES OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C23H25N3O2/c27-23(28)20-9-7-17-26(18-20)16-6-2-3-8-19-12-14-22(15-13-19)25-24-21-10-4-1-5-11-21/h1,4-5,10-15,20H,2,6-7,9,16-18H2,(H,27,28)/b25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.59E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280889 (CHEMBL4162645) Show SMILES OC(=O)C1CCCN(CC\C=C\c2ccc(cc2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C26H27N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-3,5,7-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/b7-3+,28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.71E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280891 (CHEMBL4171538) Show SMILES OC(=O)C1CCCN(CCCC=Cc2cccc(c2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C27H29N3O2/c31-27(32)23-13-8-18-30(20-23)17-5-1-2-9-21-10-6-14-24(19-21)28-29-26-16-7-12-22-11-3-4-15-25(22)26/h2-4,6-7,9-12,14-16,19,23H,1,5,8,13,17-18,20H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280954 (CHEMBL4172266) Show SMILES OC(=O)C1CCCN(CC\C=C\c2ccc(cc2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O2/c26-22(27)19-8-6-16-25(17-19)15-5-4-7-18-11-13-21(14-12-18)24-23-20-9-2-1-3-10-20/h1-4,7,9-14,19H,5-6,8,15-17H2,(H,26,27)/b7-4+,24-23+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281159 (CHEMBL4163282) Show SMILES OC(=O)C1CCCN(CCCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C27H27N3O2/c31-27(32)23-13-8-18-30(20-23)17-5-1-2-9-21-10-6-14-24(19-21)28-29-26-16-7-12-22-11-3-4-15-25(22)26/h3-4,6-7,10-12,14-16,19,23H,1,5,8,13,17-18,20H2,(H,31,32)/b29-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281158 (CHEMBL4176768) Show SMILES OC(=O)C1CCCN(CC\C=C\c2cccc(c2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C26H27N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-3,5-6,8-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)/b8-3+,28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281156 (CHEMBL4173594) Show SMILES OC(=O)C1CCCN(CCCC#Cc2cccc(c2)N=Nc2cccc3ccccc23)C1 Show InChI InChI=1S/C27H27N3O2/c31-27(32)23-13-8-18-30(20-23)17-5-1-2-9-21-10-6-14-24(19-21)28-29-26-16-7-12-22-11-3-4-15-25(22)26/h3-4,6-7,10-12,14-16,19,23H,1,5,8,13,17-18,20H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280947 (CHEMBL4166722) Show SMILES OC(=O)C1CCCN(CCCC#Cc2cccc(c2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C23H25N3O2/c27-23(28)20-11-8-16-26(18-20)15-6-2-3-9-19-10-7-14-22(17-19)25-24-21-12-4-1-5-13-21/h1,4-5,7,10,12-14,17,20H,2,6,8,11,15-16,18H2,(H,27,28)/b25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280955 (CHEMBL4166509) Show SMILES OC(=O)C1CCCN(CCC\C=C\c2cccc(c2)\N=N\c2cccc3ccccc23)C1 Show InChI InChI=1S/C27H29N3O2/c31-27(32)23-13-8-18-30(20-23)17-5-1-2-9-21-10-6-14-24(19-21)28-29-26-16-7-12-22-11-3-4-15-25(22)26/h2-4,6-7,9-12,14-16,19,23H,1,5,8,13,17-18,20H2,(H,31,32)/b9-2+,29-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280887 (CHEMBL4176043) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)\N=N\c2ccccc2)C1 |r| Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-3,6,9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)/b24-23+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281160 (CHEMBL4160922) Show SMILES OC(=O)C1CCCN(CCCC=Cc2ccc(cc2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C23H27N3O2/c27-23(28)20-9-7-17-26(18-20)16-6-2-3-8-19-12-14-22(15-13-19)25-24-21-10-4-1-5-11-21/h1,3-5,8,10-15,20H,2,6-7,9,16-18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281030 (CHEMBL4162184) Show SMILES OC(=O)C1CCCN(CCCC=Cc2cccc(c2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C23H27N3O2/c27-23(28)20-11-8-16-26(18-20)15-6-2-3-9-19-10-7-14-22(17-19)25-24-21-12-4-1-5-13-21/h1,3-5,7,9-10,12-14,17,20H,2,6,8,11,15-16,18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280951 (CHEMBL4163201) Show SMILES OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C23H25N3O2/c27-23(28)20-9-7-17-26(18-20)16-6-2-3-8-19-12-14-22(15-13-19)25-24-21-10-4-1-5-11-21/h1,4-5,10-15,20H,2,6-7,9,16-18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280943 (CHEMBL4162268) Show SMILES OC(=O)C1CCCN(CCC#Cc2cccc(c2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-3,6,9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)/b24-23+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50281017 (CHEMBL4174484) Show SMILES OC(=O)C1CCCN(CCC=Cc2ccc(cc2)N=Nc2ccccc2)C1 Show InChI InChI=1S/C22H25N3O2/c26-22(27)19-8-6-16-25(17-19)15-5-4-7-18-11-13-21(14-12-18)24-23-20-9-2-1-3-10-20/h1-4,7,9-14,19H,5-6,8,15-17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.72E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 m...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280872 (CHEMBL4160224) Show SMILES OC(=O)C1CCCN(CCC\C=C\c2cccc(c2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C23H27N3O2/c27-23(28)20-11-8-16-26(18-20)15-6-2-3-9-19-10-7-14-22(17-19)25-24-21-12-4-1-5-13-21/h1,3-5,7,9-10,12-14,17,20H,2,6,8,11,15-16,18H2,(H,27,28)/b9-3+,25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50280953 (CHEMBL4160222) Show SMILES OC(=O)C1CCCN(CC\C=C\c2cccc(c2)\N=N\c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-4,6,8-9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)/b8-4+,24-23+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+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 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2 (Mus musculus)	BDBM50281157 (CHEMBL4167871) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/b28-27+/t22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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 GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50281157 (CHEMBL4167871) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/b28-27+/t22-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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 GAT3 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50280887 (CHEMBL4176043) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)\N=N\c2ccccc2)C1 |r| Show InChI InChI=1S/C22H23N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-3,6,9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)/b24-23+/t19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT4 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50280942 (CHEMBL4163202) Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1 |r| Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-2,5-6,9-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)/b28-27+/t22-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT4 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...				J Med Chem 61: 6211-6235 (2018) Article DOI: 10.1021/acs.jmedchem.8b00629 BindingDB Entry DOI: 10.7270/Q2MW2KPX
					More data for this Ligand-Target Pair

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