BindingDB PrimarySearch

BDBM50022889 (2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-piperidin-2-yl)-methanol::(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol::(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol( Mefloquine)::(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol; (Mefloquine or MF)::(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol::(S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(R)-piperidin-2-yl-methanol::(S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol::(S)-(2,8-bis(trifluoromethyl)quinolin-4-yl)((R)-piperidin-2-yl)methanol::2,8-di(trifluoromethyl)-4-quinolyl-hexahydro-2-pyridinylmethanol(Mefloquine)::2-[(2,8-Bis-trifluoromethyl-quinolin-4-yl)-hydroxy-methyl]-piperidinium::CHEMBL416956::GNF-Pf-5544::Lariam::MEFLOQUINE::[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol::med.21724, Compound Mefloquine::melfoquine::rac-mefloquine::rel-(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol

SMILES: OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=XEEQGYMUWCZPDN-UHFFFAOYSA-N

Data: 8 IC50 3 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50022889
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
TCG Lifesciences Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd Curated by ChEMBL					Assay Description Inhibition of human Potassium channel HERG expressed in mammalian cells				Bioorg Med Chem Lett 13: 2773-5 (2003) BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
Gedeon Richter Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...				J Med Chem 58: 2958-66 (2015) Article DOI: 10.1021/jm501873p BindingDB Entry DOI: 10.7270/Q22F7Q4V
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against IKr potassium channel				Bioorg Med Chem Lett 14: 4771-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.070 BindingDB Entry DOI: 10.7270/Q208661K
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase Pfmrk (Plasmodium falciparum)	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cyclin-dependent kinase				J Med Chem 47: 5418-26 (2004) Article DOI: 10.1021/jm040108f BindingDB Entry DOI: 10.7270/Q2BZ66TW
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique				Bioorg Med Chem 16: 6252-60 (2008) Article DOI: 10.1016/j.bmc.2008.04.028 BindingDB Entry DOI: 10.7270/Q25D8T25
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair
Histidine-rich protein (Plasmodium falciparum)	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay				Antimicrob Agents Chemother 51: 350-3 (2006) Article DOI: 10.1128/AAC.00985-06 BindingDB Entry DOI: 10.7270/Q2C82BJV
Kyoto Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea					Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 � 104 cells per well in DMEM, supplemented with 2% FBS and 1� ...				Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR
Institut Pasteur Korea					More data for this Ligand-Target Pair
3C-like proteinase (MERS-CoV)	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Reverse proteomics research institute Curated by ChEMBL					Assay Description Inhibitory concentration against potassium channel HERG				Bioorg Med Chem Lett 15: 2886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.03.080 BindingDB Entry DOI: 10.7270/Q29S1S7C
Reverse proteomics research institute Curated by ChEMBL					More data for this Ligand-Target Pair