BDBM50196414 CHEMBL3959257

SMILES: CC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1

InChI Key: InChIKey=OTWWQGNIWYUHKG-UHFFFAOYSA-N

Data: 1 IC50

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 = 50196414   

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
High-affinity choline transporter (Homo sapiens (Human))	BDBM50196414 (CHEMBL3959257) Show SMILES CC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1 Show InChI InChI=1S/C20H27N3O3/c1-14(2)19-12-18(26-22-19)13-21-20(24)15-5-4-6-17(11-15)25-16-7-9-23(3)10-8-16/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]choline uptake at human choline transporter expressed in HEK293 cells preincubated for 15 mins followed by [3H]choline addition mea...				Bioorg Med Chem Lett 26: 4637-4640 (2016) Article DOI: 10.1016/j.bmcl.2016.08.062 BindingDB Entry DOI: 10.7270/Q27D2X2R
					More data for this Ligand-Target Pair