BDBM50091092 CHEMBL3582172

SMILES: COc1cc(OC)c2C(=O)[C@H](OC(C)=O)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=XAGIAEOMIIISHO-IRLDBZIGSA-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 = 50091092   

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))	BDBM50091092 (CHEMBL3582172) Show SMILES COc1cc(OC)c2C(=O)[C@H](OC(C)=O)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C22H24O9/c1-11(23)30-22-19(24)18-14(26-3)9-13(25-2)10-15(18)31-20(22)12-7-16(27-4)21(29-6)17(8-12)28-5/h7-10,20,22H,1-6H3/t20-,22+/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	107	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