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BDBM50428354 CHEMBL2331719

SMILES: COCCOCCOCCOc1cc2CCN(Cc3ccc(cc3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)Cc2cc1OC

InChI Key: InChIKey=RTWTTZOCXJIFQF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50428354   
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))
BDBM50428354
PNG
(CHEMBL2331719)
Show SMILES COCCOCCOCCOc1cc2CCN(Cc3ccc(cc3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)Cc2cc1OC
Show InChI InChI=1S/C42H45N3O8/c1-48-18-19-51-20-21-52-22-23-53-40-25-33-16-17-45(28-34(33)26-39(40)49-2)27-29-8-10-30(11-9-29)32-12-14-35(42(47)50-3)38(24-32)44-41(46)37-15-13-31-6-4-5-7-36(31)43-37/h4-15,24-26H,16-23,27-28H2,1-3H3,(H,44,46)
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assay


ACS Med Chem Lett 4: 393-6 (2013)


Article DOI: 10.1021/ml4000832
BindingDB Entry DOI: 10.7270/Q2T72JRQ
More data for this
Ligand-Target Pair