Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 1' and Ligand = 'BDBM50505281'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50505281 (CHEMBL2315948) Show SMILES OC(=O)C1CCCN(CCN\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-25-24-9-11-26-10-3-5-16(14-26)21(27)28/h1-2,4,6-8,12-13,16,24H,3,5,9-11,14H2,(H,27,28)/b25-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of NO711 binding to mouse GAT1 receptor expressed in HEK293 cell membranes incubated for 1 hr by LC-ESI-MS/MS analysis				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair