Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM50195162'   

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 glycine transporter 1 (Homo sapiens (Human))	BDBM50195162 (2,4-dichloro-N-((4-(1-methylpiperazine-4-carbonyl)...) Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H32Cl2N4O4S/c1-3-14-33(31,32)28-8-6-22(7-9-28,21(30)27-12-10-26(2)11-13-27)16-25-20(29)18-5-4-17(23)15-19(18)24/h4-5,15H,3,6-14,16H2,1-2H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of human GlyT1				Bioorg Med Chem Lett 16: 5968-72 (2006) Article DOI: 10.1016/j.bmcl.2006.08.131 BindingDB Entry DOI: 10.7270/Q2C82B31
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