BDBM50377446 (S,R)-MEFLOQUINE

SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=XEEQGYMUWCZPDN-UHFFFAOYSA-N

Data  8 KI  5 IC50

PDB links: 9 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50377446   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataIC50: 1.36E+4nMAssay Description:Inhibition of hERG channel expressed in CHO cells at holding potential of -80 mV by whole cell patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataIC50: 4.30E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 1'-hydroxy midazolam formation using midazolam as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6-beta-hydroxy-testosterone formation using testosterone as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 1'-hydroxy midazolam formation using midazolam as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6-beta-hydroxy-testosterone formation using testosterone as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  61nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  61nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  61nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  244nMAssay Description:Inhibition of human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  255nMAssay Description:Binding affinity to human adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  255nMAssay Description:Antagonist activity at human adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  6.94E+3nMAssay Description:Inhibition of human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)
Affinity DataKi:  7.07E+3nMAssay Description:Inhibition of human recombinant adenosine receptor A2bMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed