BDBM50241472 CHEMBL442464::N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2-nitrobenzamide::N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-2-nitrobenzamide

SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4[N+]([O-])=O)cc3)Cc2cc1OC

InChI Key InChIKey=OPEFHOQGDRRMFK-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50241472   

LigandPNGBDBM50241472(N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
LigandPNGBDBM50241472(N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50: 7.76E+4nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50241472(N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50241472(N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50: 4.79E+3nMAssay Description:Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
LigandPNGBDBM50241472(N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50241472(N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed