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BDBM50202251 CHEMBL3966114

SMILES: COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(F)c(F)c5)cccc4o3)c2c1

InChI Key: InChIKey=LGCFXSOQVYHVPA-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202251   
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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50202251
PNG
(CHEMBL3966114)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(F)c(F)c5)cccc4o3)c2c1
Show InChI InChI=1S/C28H22F2N2O5/c1-35-18-6-8-22-19(12-18)17(14-32-22)9-10-31-28(34)26-13-23(33)27-24(3-2-4-25(27)37-26)36-15-16-5-7-20(29)21(30)11-16/h2-8,11-14,32H,9-10,15H2,1H3,(H,31,34)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 630n/an/an/an/a



Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by flow cytometric analysis


Eur J Med Chem 122: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.053
BindingDB Entry DOI: 10.7270/Q28K7C22
More data for this
Ligand-Target Pair