BDBM50091093 CHEMBL3582173

SMILES: COc1ccc(cc1)C(=O)O[C@@H]1[C@H](Oc2cc(OC)cc(OC)c2C1=O)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=QTOKQSAAOPWAEX-VPUSJEBWSA-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 = 50091093   

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))	BDBM50091093 (CHEMBL3582173) Show SMILES COc1ccc(cc1)C(=O)O[C@@H]1[C@H](Oc2cc(OC)cc(OC)c2C1=O)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C28H28O10/c1-31-17-9-7-15(8-10-17)28(30)38-27-24(29)23-19(33-3)13-18(32-2)14-20(23)37-25(27)16-11-21(34-4)26(36-6)22(12-16)35-5/h7-14,25,27H,1-6H3/t25-,27+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for pa...				J Med Chem 58: 4529-49 (2015) Article DOI: 10.1021/acs.jmedchem.5b00085 BindingDB Entry DOI: 10.7270/Q2N29ZP5
					More data for this Ligand-Target Pair