BDBM50032265 CHEMBL3352987

SMILES: COc1ccc(cc1)-c1ccc2OCC(CCN3CCc4cc(OC)c(OC)cc4C3)=Cc2c1

InChI Key: InChIKey=OEPQYKYEXGZHCE-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 = 50032265   

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))	BDBM50032265 (CHEMBL3352987) Show SMILES COc1ccc(cc1)-c1ccc2OCC(CCN3CCc4cc(OC)c(OC)cc4C3)=Cc2c1 |c:33| Show InChI InChI=1S/C29H31NO4/c1-31-26-7-4-21(5-8-26)22-6-9-27-24(15-22)14-20(19-34-27)10-12-30-13-11-23-16-28(32-2)29(33-3)17-25(23)18-30/h4-9,14-17H,10-13,18-19H2,1-3H3	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	1.20E+3	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