BDBM50091091 CHEMBL3582175

SMILES: COc1cc(OC)c2C(=O)[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=PXFJDZAFLWYCTL-UHSQPCAPSA-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 = 50091091   

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))	BDBM50091091 (CHEMBL3582175) Show SMILES COc1cc(OC)c2C(=O)[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C30H32O12/c1-33-17-13-18(34-2)24-19(14-17)41-26(15-9-20(35-3)27(39-7)21(10-15)36-4)29(25(24)31)42-30(32)16-11-22(37-5)28(40-8)23(12-16)38-6/h9-14,26,29H,1-8H3/t26-,29+/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	44	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