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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 935 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-Kansas City Curated by ChEMBL | Assay 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... | Bioorg Med Chem Lett 29: 424-429 (2019) Article DOI: 10.1016/j.bmcl.2018.12.027 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chloroquine resistance transporter (Plasmodium falciparum) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University Curated by ChEMBL | Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c... | ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 3.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article | n/a | n/a | 5.01E+12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity | Citation and Details Article DOI: 10.1007/s00044-011-9593-5 BindingDB Entry DOI: 10.7270/Q26976G0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
60 kDa chaperonin (Escherichia coli) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thiosulfate sulfurtransferase (Homo sapiens) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HSP60/HSP10 (Homo sapiens) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 935 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870 | ||||||||||||
More data for this Ligand-Target Pair |