BDBM39687 (2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]quinoline;chloride::(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline;chloride::(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;chloride::1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]quinolinium chloride::CHEMBL1197556::MLS000532635::SMR000137574::cid_5717105
SMILES: CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12
InChI Key: InChIKey=AGJZCWVTGOVGBS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha1 (RAT) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | Nature 372: 549-552 (1994) Article DOI: 10.1038/372549a0 BindingDB Entry DOI: 10.7270/Q2B56M05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha1 (RAT) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells | Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997) Article DOI: 10.1007/bf00171063 BindingDB Entry DOI: 10.7270/Q2MG7QSP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | J Pharmacol Exp Ther 286: 354-61 (1998) BindingDB Entry DOI: 10.7270/Q28P63DW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes | Mol Pharmacol 51: 913-21 (1997) Article DOI: 10.1124/mol.51.6.913 BindingDB Entry DOI: 10.7270/Q2154KWV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
streptokinase A precursor (Streptococcus pyogenes M1 GAS) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL | Assay Description Inhibition of human recombinant NQO2 | Bioorg Med Chem Lett 20: 7331-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.070 BindingDB Entry DOI: 10.7270/Q2M32W16 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2WQ027W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2MS3R5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 3 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells | Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells | Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytes | Biochim Biophys Acta 1417: 224-31 (1999) BindingDB Entry DOI: 10.7270/Q2WS8VJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 adrenergic receptor (Mus musculus (Mouse)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | MMDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
The Australian Nuclear Science and Technology Organisation Curated by ChEMBL | Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in C57BL/6 mouse hippocampal homogenates after 40 mins by liquid scintillation counting method | Eur J Med Chem 137: 476-487 (2017) Article DOI: 10.1016/j.ejmech.2017.06.011 BindingDB Entry DOI: 10.7270/Q2GH9MG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2B56H4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 9.99E+5 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RV0M49 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic Alpha (Homo sapiens (Human)) | BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells | Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 | |||||||||||
More data for this Ligand-Target Pair |