BDBM50374727 CHEMBL405372

SMILES: COc1ccc2CCCC(CCCN3CCc4cc(OC)c(OC)cc4C3)c2c1

InChI Key: InChIKey=CRXITWCKFZMSFG-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 = 50374727   

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))	BDBM50374727 (CHEMBL405372) Show SMILES COc1ccc2CCCC(CCCN3CCc4cc(OC)c(OC)cc4C3)c2c1 |w:9.9| Show InChI InChI=1S/C25H33NO3/c1-27-22-10-9-19-7-4-6-18(23(19)16-22)8-5-12-26-13-11-20-14-24(28-2)25(29-3)15-21(20)17-26/h9-10,14-16,18H,4-8,11-13,17H2,1-3H3	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	1.02E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells				Bioorg Med Chem 16: 362-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.039 BindingDB Entry DOI: 10.7270/Q2ST7QQS
					More data for this Ligand-Target Pair