BDBM50032254 CHEMBL3352980

SMILES: COc1cc2CCN(CCc3ccc(cc3)-c3ccc(F)cc3)Cc2cc1OC

InChI Key: InChIKey=MMDFUOTUTNSXLN-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 = 50032254   

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))	BDBM50032254 (CHEMBL3352980) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-c3ccc(F)cc3)Cc2cc1OC Show InChI InChI=1S/C25H26FNO2/c1-28-24-15-21-12-14-27(17-22(21)16-25(24)29-2)13-11-18-3-5-19(6-4-18)20-7-9-23(26)10-8-20/h3-10,15-16H,11-14,17H2,1-2H3	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	2.00E+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