BDBM71542 (4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)amine;phosphoric acid::4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid::MLS001334045::N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine;phosphoric acid::N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid::Primaquine bisphosphate::SMR000875314::cid_359247

SMILES COc1cc(NC(C)CCCN)c2ncccc2c1

InChI Key InChIKey=INDBQLZJXZLFIT-UHFFFAOYSA-N

Data  16 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 71542   

TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  935nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Missouri-Kansas City

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of HIV1 reverse transcriptase assessed as reduction in [3H]dTTP incorporation using poly(rA)/oligo(dT) as template/primer after 30 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChloroquine resistance transporter(malaria parasite P. falciparum)
Australian National University

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  6.80E+4nMAssay Description:Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  3.27E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  5.31E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  3.27E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus type 1)TBA
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  5.01E+12nMAssay Description:Inhibition of Human immunodeficiency virus 1 integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  6.20E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  1.03E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  7.50E+4nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Affinity DataIC50:  935nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay