BDBM50011145 CHEMBL3259933

SMILES: COc1ccc(cc1)C1(CCCN(C)C1)NC(=O)c1c(OC)cc(cc1SC)C(F)(F)F

InChI Key: InChIKey=IWEKXLBSCXDRCW-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011145   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycine transporter 1 (Homo sapiens (Human))	BDBM50011145 (CHEMBL3259933) Show SMILES COc1ccc(cc1)C1(CCCN(C)C1)NC(=O)c1c(OC)cc(cc1SC)C(F)(F)F Show InChI InChI=1S/C23H27F3N2O3S/c1-28-11-5-10-22(14-28,15-6-8-17(30-2)9-7-15)27-21(29)20-18(31-3)12-16(23(24,25)26)13-19(20)32-4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake				ACS Med Chem Lett 5: 428-33 (2014) Article DOI: 10.1021/ml500005m BindingDB Entry DOI: 10.7270/Q2FF3TWV
					More data for this Ligand-Target Pair