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BDBM50009162 CHEMBL3238333

SMILES: COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1

InChI Key: InChIKey=CGPZKBGXLSYETP-PHEQNACWSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009162   
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))
BDBM50009162
PNG
(CHEMBL3238333)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C30H30O8/c1-33-25-15-21(16-26(34-2)29(25)37-5)23(31)13-11-19-7-9-20(10-8-19)12-14-24(32)22-17-27(35-3)30(38-6)28(18-22)36-4/h7-18H,1-6H3/b13-11+,14-12+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



BMSSI UMR5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux after 30 mins by flow cytometry relati...


J Med Chem 57: 2930-41 (2014)

More data for this
Ligand-Target Pair