Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 3' and Ligand = 'BDBM50039248'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50039248 ((R)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-...) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 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-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse GTA4 receptor				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Homo sapiens (Human))	BDBM50039248 ((R)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-...) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human sodium and chloride dependent GABA transporter 3				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
					More data for this Ligand-Target Pair