BDBM50370878 CHEMBL143061

SMILES: CCC(=O)c1ccccc1OCC(O)CN1CCOCC1

InChI Key: InChIKey=ZFMIURIOVUFNKE-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 = 50370878   

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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50370878 (CHEMBL143061) Show SMILES CCC(=O)c1ccccc1OCC(O)CN1CCOCC1 Show InChI InChI=1S/C16H23NO4/c1-2-15(19)14-5-3-4-6-16(14)21-12-13(18)11-17-7-9-20-10-8-17/h3-6,13,18H,2,7-12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair