BDBM50241464 4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide::CHEMBL261632

SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(N)cc4)cc3)Cc2cc1OC

InChI Key InChIKey=IPGHATJIKSKXQN-UHFFFAOYSA-N

Data  6 IC50  1 Kd

  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 7 hits for monomerid = 50241464   

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

Curated by ChEMBL
LigandPNGBDBM50241464(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Affinity DataIC50:  9.82E+4nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A 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
LigandPNGBDBM50241464(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Affinity DataIC50:  2.19E+5nMAssay 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
LigandPNGBDBM50241464(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Affinity DataIC50:  7.08E+3nMAssay Description:Inhibition of human Pgp in A2780 cells after 30 mins 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
LigandPNGBDBM50241464(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Affinity DataIC50:  4.40E+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 DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50241464(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Affinity DataIC50:  2.63E+5nMAssay Description:Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Host:PNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

LigandPNGBDBM50241464(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Affinity DataKd:  25nMpH: 11.5 T: 2°CAssay Description:The NMR experiments were carried out in 10 mM sodium phosphate buffer at a pH of 11.3, while the ITC experiments were performed in 50 mM sodium phosp...More data for this Ligand-Host Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50241464(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Affinity DataIC50:  4.07E+3nMAssay Description:Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed