BDBM50135033 1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy)phenyl)propan-1-one::1-{2-[2-Hydroxy-3-(4-hydroxy-4-phenyl-piperidin-1-yl)-propoxy]-phenyl}-propan-1-one::CHEMBL445381

SMILES: CCC(=O)c1ccccc1OCC(O)CN1CCC(O)(CC1)c1ccccc1

InChI Key: InChIKey=JZWSXDGWDPUKQK-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 = 50135033   

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))	BDBM50135033 (1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-y...) Show SMILES CCC(=O)c1ccccc1OCC(O)CN1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C23H29NO4/c1-2-21(26)20-10-6-7-11-22(20)28-17-19(25)16-24-14-12-23(27,13-15-24)18-8-4-3-5-9-18/h3-11,19,25,27H,2,12-17H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	299	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