BDBM50248987 1-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-3-(4-nitrophenyl)urea::CHEMBL474972

SMILES COc1cc2CCN(CCc3ccc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC

InChI Key InChIKey=GAVZNCJRMXEVRP-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50248987   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50248987(1-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50:  2.61E+3nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50248987(1-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50:  1.50E+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 DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50248987(1-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...)
Affinity DataIC50:  3.89E+3nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed