BDBM50011157 CHEMBL3259908

SMILES: COc1cc(cc(c1C(=O)NC1(CCCNC1)c1ccccc1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=MTQSVWHXZKFABK-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 = 50011157   

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))	BDBM50011157 (CHEMBL3259908) Show SMILES COc1cc(cc(c1C(=O)NC1(CCCNC1)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H20F6N2O2/c1-31-16-11-14(20(22,23)24)10-15(21(25,26)27)17(16)18(30)29-19(8-5-9-28-12-19)13-6-3-2-4-7-13/h2-4,6-7,10-11,28H,5,8-9,12H2,1H3,(H,29,30)	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	660	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