BDBM50344752 CHEMBL1777831::methyl 4-(4-(2-(6-methoxy-7-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenylcarbamoyl)-2-(quinoline-6-carboxamido)benzoate

SMILES COCCOCCOCCOc1cc2CN(CCc3ccc(NC(=O)c4ccc(C(=O)OC)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)CCc2cc1OC

InChI Key InChIKey=FKTHCDIXZKIHTP-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 = 50344752   

TargetATP-dependent translocase ABCB1(Human)
Universidad Nacional De Colombia

Curated by ChEMBL
LigandPNGBDBM50344752(methyl 4-(4-(2-(6-methoxy-7-(2-(2-(2-methoxyethoxy...)
Affinity DataIC50: 5.00E+4nMAssay 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
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Universidad Nacional De Colombia

Curated by ChEMBL
LigandPNGBDBM50344752(methyl 4-(4-(2-(6-methoxy-7-(2-(2-(2-methoxyethoxy...)
Affinity DataIC50: 508nMAssay 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