Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent betaine transporter' and Ligand = 'BDBM50250304'   

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)	BDBM50250304 (CHEMBL4077256) Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O2/c1-26-17-4-2-3-14(11-17)13-24-9-7-16(8-10-24)23-20(25)18-6-5-15(21)12-19(18)22/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+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 mouse BGT1 expressed in HEK293 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 (Mus musculus)	BDBM50250304 (CHEMBL4077256) Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O2/c1-26-17-4-2-3-14(11-17)13-24-9-7-16(8-10-24)23-20(25)18-6-5-15(21)12-19(18)22/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+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 mouse BGT1 expressed in HEK293 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