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BDBM50091089 CHEMBL3582158

SMILES: COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(F)c(NC(=O)c5ccc(OC)c(OC)c5)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=VZOCQSVCAMLREC-LJEWAXOPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091089   
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))		BDBM50091089
PNG
(CHEMBL3582158)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(F)c(NC(=O)c5ccc(OC)c(OC)c5)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C43H40F2N2O12/c1-51-26-19-33(53-3)27-21-38(39(58-34(27)20-26)25-17-36(55-5)40(57-7)37(18-25)56-6)59-43(50)24-9-12-29(45)31(15-24)47-41(48)22-8-11-28(44)30(14-22)46-42(49)23-10-13-32(52-2)35(16-23)54-4/h8-20,38-39H,21H2,1-7H3,(H,46,49)(H,47,48)/t38-,39-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/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