BDBM50032262 CHEMBL3352988

SMILES: COc1cc2CCN(CCc3ccccc3-c3cccc(O)c3)Cc2cc1OC

InChI Key: InChIKey=KTXGMPCLOCJNQG-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 = 50032262   

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))	BDBM50032262 (CHEMBL3352988) Show SMILES COc1cc2CCN(CCc3ccccc3-c3cccc(O)c3)Cc2cc1OC Show InChI InChI=1S/C25H27NO3/c1-28-24-15-19-11-13-26(17-21(19)16-25(24)29-2)12-10-18-6-3-4-9-23(18)20-7-5-8-22(27)14-20/h3-9,14-16,27H,10-13,17H2,1-2H3	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	230	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