BDBM50293012 CHEMBL457439::Methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl)aminocarbonyl)-2-(5-methylpyrazine-2-carbonylamino)benzoate

SMILES COC(=O)c1ccc(cc1NC(=O)c1cnc(C)cn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key InChIKey=MMLZVVUSFLUJIM-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50293012   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50293012(Methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroi...)
Affinity DataIC50: 552nMAssay 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
TargetATP-binding cassette sub-family C member 2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50293012(Methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroi...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50293012(Methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroi...)
Affinity DataIC50: 5.70E+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