BDBM50091088 CHEMBL3582157

SMILES: COc1ccc(cc1)C(=O)Nc1cc(ccc1F)C(=O)Nc1cc(ccc1F)C(=O)O[C@@H]1Cc2c(OC)cc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=WERAEEPDYIVTPB-XPSQVAKYSA-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 = 50091088   

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))	BDBM50091088 (CHEMBL3582157) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1F)C(=O)Nc1cc(ccc1F)C(=O)O[C@@H]1Cc2c(OC)cc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C42H38F2N2O11/c1-50-26-11-7-22(8-12-26)40(47)45-31-15-23(9-13-29(31)43)41(48)46-32-16-24(10-14-30(32)44)42(49)57-37-21-28-33(52-3)19-27(51-2)20-34(28)56-38(37)25-17-35(53-4)39(55-6)36(18-25)54-5/h7-20,37-38H,21H2,1-6H3,(H,45,47)(H,46,48)/t37-,38-/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	16	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