BDBM50241470 CHEMBL258456::N-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2-nitrobenzamide::N-{4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-2-nitrobenzamide

SMILES [O-][N+](=O)c1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1

InChI Key InChIKey=SGQWLVLTMUGAHO-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50241470   

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

Curated by ChEMBL
LigandPNGBDBM50241470(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Affinity DataIC50:  5.13E+4nMAssay Description:Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 stainingMore 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
LigandPNGBDBM50241470(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Affinity DataIC50:  4.57E+4nMAssay 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
LigandPNGBDBM50241470(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Affinity DataIC50:  1.40E+4nMAssay 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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50241470(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Affinity DataIC50:  1.23E+4nMAssay Description:Inhibition of human Pgp in A2780 cells after 30 mins 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
LigandPNGBDBM50241470(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Affinity DataIC50:  7.94E+4nMAssay Description:Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50241470(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Affinity DataIC50:  1.35E+4nMAssay Description:Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed