null

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

InChI Key InChIKey=XEEQGYMUWCZPDN-SWLSCSKDSA-N

PDB links: 6 PDB IDs match 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 13 hits for monomerid = 50377446   

TargetAdenosine receptor A2a(Homo sapiens (Human))TBA
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataKi:  61nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BR8T25PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))TBA
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataKi:  61nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28P621JPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataKi:  244nMAssay Description:Inhibition of human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28P621JPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataKi:  255nMAssay Description:Binding affinity to human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BR8T25PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataKi:  255nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2377DQ0PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataKi:  6.94E+3nMAssay Description:Inhibition of human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28P621JPubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataKi:  7.07E+3nMAssay Description:Inhibition of human recombinant adenosine receptor A2bMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28P621JPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668J7BPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668J7BPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668J7BPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50377446((S,R)-MEFLOQUINE)copy SMILEScopy InChI
Affinity DataIC50: 4.30E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668J7BPubMed