BDBM50032263 CHEMBL3352973

SMILES: COc1ccc(cc1)-c1ccc2OCC(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)=Cc2c1

InChI Key: InChIKey=GQPZYXWVDBTRKO-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 = 50032263   

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))	BDBM50032263 (CHEMBL3352973) Show SMILES COc1ccc(cc1)-c1ccc2OCC(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)=Cc2c1 |c:34| Show InChI InChI=1S/C29H29NO5/c1-32-25-7-4-20(5-8-25)21-6-9-26-23(14-21)12-19(18-35-26)13-29(31)30-11-10-22-15-27(33-2)28(34-3)16-24(22)17-30/h4-9,12,14-16H,10-11,13,17-18H2,1-3H3	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	5.80E+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