Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent betaine transporter' and Ligand = 'BDBM50069512'   

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)	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