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 = 'BDBM201040'   

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))	BDBM201040 (US9233953, 1) Show SMILES Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ncc(cn2)C(F)(F)F)c1F Show InChI InChI=1S/C21H21F5N4O3S/c22-16-3-1-2-15(18(16)23)17-12-29(20-27-10-14(11-28-20)21(24,25)26)6-7-30(17)19(31)13-4-8-34(32,33)9-5-13/h1-3,10-11,13,17H,4-9,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...				US Patent US9233953 (2016) BindingDB Entry DOI: 10.7270/Q2Q81BVM
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