BDBM50344757 CHEMBL1779522::N-{4-[2-(6-Methoxy-7-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-phenyl}-2-[(quinoline-2-carbonyl)-amino]-terephthalamic acid trifluoroacetic acid

SMILES COCCOCCOCCOc1cc2CN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC

InChI Key InChIKey=FWRLTIUOAWAJCM-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50344757   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Universidad Nacional De Colombia

Curated by ChEMBL
LigandPNGBDBM50344757(N-{4-[2-(6-Methoxy-7-{2-[2-(2-methoxy-ethoxy)-etho...)
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of ABCG2 expressed in human MCF7/Topo cells by Hoechst microplate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Universidad Nacional De Colombia

Curated by ChEMBL
LigandPNGBDBM50344757(N-{4-[2-(6-Methoxy-7-{2-[2-(2-methoxy-ethoxy)-etho...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed