BDBM50009279 CHEMBL2220507

SMILES: COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OC

InChI Key: InChIKey=HDVCLPMRJWHUAA-OQLLNIDSSA-N

Data: 1 IC50

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 = 50009279   

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))	BDBM50009279 (CHEMBL2220507) Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C20H21NO3/c1-21(2)16-7-5-13(6-8-16)9-15-10-14-11-18(23-3)19(24-4)12-17(14)20(15)22/h5-9,11-12H,10H2,1-4H3/b15-9+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair