Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent betaine transporter' AND taxid = 9606   

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 betaine transporter (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zentrum f£r Pharmaforschung Curated by ChEMBL					Assay Description Binding affinity to BGT-1				Eur J Med Chem 45: 2453-66 (2010) Article DOI: 10.1016/j.ejmech.2010.02.029 BindingDB Entry DOI: 10.7270/Q2GH9J5D
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50203383 (CHEMBL228972 | N-(1-benzylpiperidin-4-yl)-2-naphth...) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H24N2O/c26-23(21-11-10-19-8-4-5-9-20(19)16-21)24-22-12-14-25(15-13-22)17-18-6-2-1-3-7-18/h1-11,16,22H,12-15,17H2,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250301 (CHEMBL4068983) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H22N2O3/c23-20(16-6-7-18-19(12-16)25-14-24-18)21-17-8-10-22(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,21,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50101329 (CHEMBL3326391) Show SMILES [H][C@@]12C[C@]1(N)CC[C@@H]2C(O)=O |r| Show InChI InChI=1S/C7H11NO2/c8-7-2-1-4(6(9)10)5(7)3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 889-93 (2014) Article DOI: 10.1021/ml500134k BindingDB Entry DOI: 10.7270/Q2WH2RS1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250267 (CHEMBL1882801) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera D expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250267 (CHEMBL1882801) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera D expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50525188 (CHEMBL4526098) Show SMILES NC1=NC(CC(O)=O)CN1 |t:1| Show InChI InChI=1S/C5H9N3O2/c6-5-7-2-3(8-5)1-4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50525188 (CHEMBL4526098) Show SMILES NC1=NC(CC(O)=O)CN1 |t:1| Show InChI InChI=1S/C5H9N3O2/c6-5-7-2-3(8-5)1-4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera D expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera D expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50013223 (CHEMBL349005 | Pyrrolidin-3-yl-acetic acid ((S)-(+...) Show SMILES OC(=O)C[C@@H]1CCNC1 Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50013223 (CHEMBL349005 | Pyrrolidin-3-yl-acetic acid ((S)-(+...) Show SMILES OC(=O)C[C@@H]1CCNC1 Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 889-93 (2014) Article DOI: 10.1021/ml500134k BindingDB Entry DOI: 10.7270/Q2WH2RS1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 4938-50 (2013) Article DOI: 10.1016/j.bmc.2013.06.063 BindingDB Entry DOI: 10.7270/Q2NZ891C
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50101328 (CHEMBL3040189) Show SMILES N[C@H]1C[C@H]1CC(O)=O |r| Show InChI InChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 889-93 (2014) Article DOI: 10.1021/ml500134k BindingDB Entry DOI: 10.7270/Q2WH2RS1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50438758 (CHEMBL2415009) Show SMILES N[C@@H]1C[C@H]1CC(O)=O |r| Show InChI InChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 4938-50 (2013) Article DOI: 10.1016/j.bmc.2013.06.063 BindingDB Entry DOI: 10.7270/Q2NZ891C
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50367949 (CHEMBL1788265) Show SMILES OC(=O)C[C@H]1CCNC1 |r| Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50367949 (CHEMBL1788265) Show SMILES OC(=O)C[C@H]1CCNC1 |r| Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250267 (CHEMBL1882801) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250267 (CHEMBL1882801) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250267 (CHEMBL1882801) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera C expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250267 (CHEMBL1882801) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera C expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50039233 (1-{2-[9-(4-Methoxy-phenyl)-9H-fluoren-9-yloxy]-eth...) Show SMILES COc1ccc(cc1)C1(OCCN2CCCC(C2)C(O)=O)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C28H29NO4/c1-32-22-14-12-21(13-15-22)28(33-18-17-29-16-6-7-20(19-29)27(30)31)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28/h2-5,8-15,20H,6-7,16-19H2,1H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of human BGT-1 expressed in thymidine kinase deficient mouse LM cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillati...				Eur J Med Chem 124: 852-880 (2016) Article DOI: 10.1016/j.ejmech.2016.09.012 BindingDB Entry DOI: 10.7270/Q27M09XT
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera B expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1/human GAT3 chimera B expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibition of human GABA transporter (hBGT-1) activity.				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50039245 (CHEMBL309357 | Dimethyl-[2-(1,7,7-trimethyl-2-phen...) Show SMILES CN(C)CCOC1(CC2CCC1(C)C2(C)C)c1ccccc1 |TLB:5:6:13:10.9,THB:16:6:13:10.9| Show InChI InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibition of human GABA transporter (hBGT-1) activity.				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250295 (CHEMBL4060376) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)n1 Show InChI InChI=1S/C18H19Cl2N3O/c19-16-7-6-15(17(20)22-16)18(24)21-14-8-10-23(11-9-14)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250295 (CHEMBL4060376) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)n1 Show InChI InChI=1S/C18H19Cl2N3O/c19-16-7-6-15(17(20)22-16)18(24)21-14-8-10-23(11-9-14)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50525192 (CHEMBL79325) Show SMILES NC1=NC(CC(O)=O)CS1 |t:1| Show InChI InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250321 (CHEMBL4097124) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccc4ccccc4n3)CC2)c(Cl)c1 Show InChI InChI=1S/C22H21Cl2N3O/c23-16-6-8-19(20(24)13-16)22(28)26-17-9-11-27(12-10-17)14-18-7-5-15-3-1-2-4-21(15)25-18/h1-8,13,17H,9-12,14H2,(H,26,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Functional potency for nAChR subtype Alpha-1-beta-1-delta gamma(torpedo)				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250287 (CHEMBL4097791) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)c(Cl)c1 Show InChI InChI=1S/C20H19Cl2N3O/c21-16-5-6-18(19(22)11-16)20(26)24-17-7-9-25(10-8-17)13-15-3-1-14(12-23)2-4-15/h1-6,11,17H,7-10,13H2,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250320 (CHEMBL4072046) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H22Cl2N2O/c24-19-7-8-21(22(25)14-19)23(28)26-20-9-11-27(12-10-20)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,20H,9-12,15H2,(H,26,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic)				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250285 (CHEMBL4091409) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3C#N)CC2)c(Cl)c1 Show InChI InChI=1S/C20H19Cl2N3O/c21-16-5-6-18(19(22)11-16)20(26)24-17-7-9-25(10-8-17)13-15-4-2-1-3-14(15)12-23/h1-6,11,17H,7-10,13H2,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50525192 (CHEMBL79325) Show SMILES NC1=NC(CC(O)=O)CS1 |t:1| Show InChI InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 4938-50 (2013) Article DOI: 10.1016/j.bmc.2013.06.063 BindingDB Entry DOI: 10.7270/Q2NZ891C
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 889-93 (2014) Article DOI: 10.1021/ml500134k BindingDB Entry DOI: 10.7270/Q2WH2RS1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50039242 (1-{2-[Bis-(4-chloro-phenyl)-(4-methoxy-phenyl)-met...) Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H29Cl2NO4/c1-34-26-14-8-23(9-15-26)28(21-4-10-24(29)11-5-21,22-6-12-25(30)13-7-22)35-18-17-31-16-2-3-20(19-31)27(32)33/h4-15,20H,2-3,16-19H2,1H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibition of human GABA transporter (hBGT-1) activity.				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250253 (CHEMBL4080696) Show SMILES Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H21FN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250288 (CHEMBL4070660) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H19Cl2IN2O/c20-14-3-6-17(18(21)11-14)19(25)23-16-7-9-24(10-8-16)12-13-1-4-15(22)5-2-13/h1-6,11,16H,7-10,12H2,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of BGT1				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 betaine transporter (Homo sapiens (Human))	BDBM50250265 (CHEMBL4070193) Show SMILES Clc1ccc(C(=O)NC2CCN(CC(=O)c3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O2/c21-15-6-7-17(18(22)12-15)20(26)23-16-8-10-24(11-9-16)13-19(25)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50250284 (CHEMBL4102978) Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N3O3/c20-14-5-6-16(17(21)11-14)19(25)22-15-7-9-23(10-8-15)12-13-3-1-2-4-18(13)24(26)27/h1-6,11,15H,7-10,12H2,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair

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