BDBM50293021 CHEMBL506742::N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl)aminocarbonyl)-2,3-dimethoxyphenyl)quinoline-3-carboxamide

SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(NC(=O)c5cnc6ccccc6c5)c(OC)c(OC)c4)cc3)Cc2cc1OC

InChI Key InChIKey=VNOXYKVYYQPXIW-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50293021   

TargetATP-dependent translocase ABCB1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50293021(N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoqu...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of ABCB1 overexpressed in human KBv1 cells by flow cytometric-based calcein-AM efflux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50293021(N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoqu...)
Affinity DataIC50: 858nMAssay Description:Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMed