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BDBM50091263 CHEMBL3582154

SMILES: COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=HYIPBGSVFCLHGF-AHSNHEDPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091263   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
P-glycoprotein 1


(Homo sapiens (Human))		BDBM50091263
PNG
(CHEMBL3582154)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C39H40FNO12/c1-44-24-18-28(45-2)25-20-34(36(52-29(25)19-24)23-16-32(48-5)38(51-8)33(17-23)49-6)53-39(43)22-10-11-26(40)27(15-22)41-35(42)12-9-21-13-30(46-3)37(50-7)31(14-21)47-4/h9-19,34,36H,20H2,1-8H3,(H,41,42)/b12-9+/t34-,36-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/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