BDBM50032249 CHEMBL3352986

SMILES: COc1ccc(cc1)-c1ccc(OCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key: InChIKey=XBNULHYELFGYPS-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 = 50032249   

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))	BDBM50032249 (CHEMBL3352986) Show SMILES COc1ccc(cc1)-c1ccc(OCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C28H33NO4/c1-30-25-10-6-21(7-11-25)22-8-12-26(13-9-22)33-17-5-4-15-29-16-14-23-18-27(31-2)28(32-3)19-24(23)20-29/h6-13,18-19H,4-5,14-17,20H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"A. Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...				J Med Chem 57: 9983-94 (2014) Article DOI: 10.1021/jm501640e BindingDB Entry DOI: 10.7270/Q2K9394N
					More data for this Ligand-Target Pair