BDBM50109344 CHEMBL3601682

SMILES: COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)c2cc(Br)c(OC)cc2OC)C1=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=HTCPEAGZVHKZBH-UHFFFAOYSA-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 = 50109344   

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))	BDBM50109344 (CHEMBL3601682) Show SMILES COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)c2cc(Br)c(OC)cc2OC)C1=O)c1ccc(OC)c(OC)c1 |t:11| Show InChI InChI=1S/C29H26BrNO9/c1-35-19-9-7-15(11-23(19)39-5)25-26(16-8-10-20(36-2)24(12-16)40-6)29(34)31(28(25)33)27(32)17-13-18(30)22(38-4)14-21(17)37-3/h7-14H,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Ocean University of China Curated by ChEMBL					Assay Description Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as paclitaxel IC50 for cell growth inhibition at 1 uM after 5 ...				Bioorg Med Chem 23: 5566-73 (2015) BindingDB Entry DOI: 10.7270/Q2WS8W29
					More data for this Ligand-Target Pair