Compile Data Set for Download or QSAR

Found 129 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50045582   

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 (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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069506 (CHEMBL3403559) 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+/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069506 (CHEMBL3403559) 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+/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069369 (CHEMBL3403569) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C22H31NOS2/c1-16-10-13-25-21(16)19(22-17(2)11-14-26-22)8-6-12-23(3)20-9-5-4-7-18(20)15-24/h8,10-11,13-14,18,20,24H,4-7,9,12,15H2,1-3H3/t18-,20-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069369 (CHEMBL3403569) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C22H31NOS2/c1-16-10-13-25-21(16)19(22-17(2)11-14-26-22)8-6-12-23(3)20-9-5-4-7-18(20)15-24/h8,10-11,13-14,18,20,24H,4-7,9,12,15H2,1-3H3/t18-,20-/m0/s1	Reactome pathway UniProtKB/SwissProt 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
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069379 (CHEMBL3403573) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C26H33NO/c1-27(26-15-7-4-11-22(26)19-28)18-8-14-25-23-12-5-2-9-20(23)16-17-21-10-3-6-13-24(21)25/h2-3,5-6,9-10,12-14,22,26,28H,4,7-8,11,15-19H2,1H3/t22-,26-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069379 (CHEMBL3403573) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C26H33NO/c1-27(26-15-7-4-11-22(26)19-28)18-8-14-25-23-12-5-2-9-20(23)16-17-21-10-3-6-13-24(21)25/h2-3,5-6,9-10,12-14,22,26,28H,4,7-8,11,15-19H2,1H3/t22-,26-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069374 (CHEMBL3403570) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C22H31NOS2/c1-16-10-13-25-21(16)19(22-17(2)11-14-26-22)8-6-12-23(3)20-9-5-4-7-18(20)15-24/h8,10-11,13-14,18,20,24H,4-7,9,12,15H2,1-3H3/t18-,20-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069374 (CHEMBL3403570) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C22H31NOS2/c1-16-10-13-25-21(16)19(22-17(2)11-14-26-22)8-6-12-23(3)20-9-5-4-7-18(20)15-24/h8,10-11,13-14,18,20,24H,4-7,9,12,15H2,1-3H3/t18-,20-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069377 (CHEMBL3403571) Show SMILES [#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C23H30N2O2/c1-25(22-15-9-8-14-21(22)18-26)16-17-27-24-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22,26H,8-9,14-18H2,1H3/t21-,22-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069377 (CHEMBL3403571) Show SMILES [#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C23H30N2O2/c1-25(22-15-9-8-14-21(22)18-26)16-17-27-24-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22,26H,8-9,14-18H2,1H3/t21-,22-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069380 (CHEMBL3403574) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C26H33NO/c1-27(26-15-7-4-11-22(26)19-28)18-8-14-25-23-12-5-2-9-20(23)16-17-21-10-3-6-13-24(21)25/h2-3,5-6,9-10,12-14,22,26,28H,4,7-8,11,15-19H2,1H3/t22-,26-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069380 (CHEMBL3403574) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C26H33NO/c1-27(26-15-7-4-11-22(26)19-28)18-8-14-25-23-12-5-2-9-20(23)16-17-21-10-3-6-13-24(21)25/h2-3,5-6,9-10,12-14,22,26,28H,4,7-8,11,15-19H2,1H3/t22-,26-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50427391 (CHEMBL2326030) 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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50427391 (CHEMBL2326030) 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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069513 (CHEMBL3403565) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO |r| Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069513 (CHEMBL3403565) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO |r| Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50427387 (CHEMBL2326025) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:24| Show InChI InChI=1S/C22H27NO2S2/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/h7-8,10-11,13-14,19H,4-6,9,12H2,1-3H3,(H,24,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50427387 (CHEMBL2326025) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:24| Show InChI InChI=1S/C22H27NO2S2/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/h7-8,10-11,13-14,19H,4-6,9,12H2,1-3H3,(H,24,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50427387 (CHEMBL2326025) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:24| Show InChI InChI=1S/C22H27NO2S2/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/h7-8,10-11,13-14,19H,4-6,9,12H2,1-3H3,(H,24,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50427387 (CHEMBL2326025) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:24| Show InChI InChI=1S/C22H27NO2S2/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/h7-8,10-11,13-14,19H,4-6,9,12H2,1-3H3,(H,24,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069378 (CHEMBL3403572) Show SMILES [#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C23H30N2O2/c1-25(22-15-9-8-14-21(22)18-26)16-17-27-24-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22,26H,8-9,14-18H2,1H3/t21-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069378 (CHEMBL3403572) Show SMILES [#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r| Show InChI InChI=1S/C23H30N2O2/c1-25(22-15-9-8-14-21(22)18-26)16-17-27-24-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22,26H,8-9,14-18H2,1H3/t21-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069432 (CHEMBL3403607) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6])-c2sccc2-[#6])-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O Show InChI InChI=1S/C24H34N2O2S2/c1-4-5-10-25-12-13-26(17-20(16-25)24(27)28)11-6-7-21(22-18(2)8-14-29-22)23-19(3)9-15-30-23/h7-9,14-15,20H,4-6,10-13,16-17H2,1-3H3,(H,27,28)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069432 (CHEMBL3403607) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6])-c2sccc2-[#6])-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O Show InChI InChI=1S/C24H34N2O2S2/c1-4-5-10-25-12-13-26(17-20(16-25)24(27)28)11-6-7-21(22-18(2)8-14-29-22)23-19(3)9-15-30-23/h7-9,14-15,20H,4-6,10-13,16-17H2,1-3H3,(H,27,28)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069515 (CHEMBL3403567) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:27| Show InChI InChI=1S/C26H29NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-14,25H,6-8,15-18H2,1H3,(H,28,29)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069515 (CHEMBL3403567) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:27| Show InChI InChI=1S/C26H29NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-14,25H,6-8,15-18H2,1H3,(H,28,29)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069510 (CHEMBL3403563) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H31NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-12,14,24-25H,6-8,13,15-18H2,1H3,(H,28,29)/t24-,25+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069510 (CHEMBL3403563) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H31NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-12,14,24-25H,6-8,13,15-18H2,1H3,(H,28,29)/t24-,25+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069512 (CHEMBL3403564) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21+/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069512 (CHEMBL3403564) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21+/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	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
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069505 (CHEMBL3403558) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069505 (CHEMBL3403558) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069505 (CHEMBL3403558) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069505 (CHEMBL3403558) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H27F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h6-13,20-22H,2-5,14-15H2,1H3,(H,33,34)/t20-,21-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069516 (CHEMBL3403568) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)C1CCCC=C1C(O)=O |c:32| Show InChI InChI=1S/C25H25F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h4,6-13,21-22H,2-3,5,14-15H2,1H3,(H,33,34)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069516 (CHEMBL3403568) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)C1CCCC=C1C(O)=O |c:32| Show InChI InChI=1S/C25H25F6NO3/c1-32(21-5-3-2-4-20(21)23(33)34)14-15-35-22(16-6-10-18(11-7-16)24(26,27)28)17-8-12-19(13-9-17)25(29,30)31/h4,6-13,21-22H,2-3,5,14-15H2,1H3,(H,33,34)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069503 (CHEMBL3403556) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H31NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-12,14,24-25H,6-8,13,15-18H2,1H3,(H,28,29)/t24-,25-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069503 (CHEMBL3403556) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H31NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-12,14,24-25H,6-8,13,15-18H2,1H3,(H,28,29)/t24-,25-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069503 (CHEMBL3403556) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H31NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-12,14,24-25H,6-8,13,15-18H2,1H3,(H,28,29)/t24-,25-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069503 (CHEMBL3403556) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H31NO2/c1-27(25-15-7-6-13-24(25)26(28)29)18-8-14-23-21-11-4-2-9-19(21)16-17-20-10-3-5-12-22(20)23/h2-5,9-12,14,24-25H,6-8,13,15-18H2,1H3,(H,28,29)/t24-,25-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069501 (CHEMBL3403554) 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-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069381 (CHEMBL3403575) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@H]1CO |r| Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair

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