BDBM50151865 CHEMBL172::MEFLOQUINE

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

InChI Key InChIKey=XEEQGYMUWCZPDN-DOMZBBRYSA-N

Data  3 KI  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50151865   

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Serono

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataKi:  6.55E+3nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataKi:  1.40E+4nMAssay Description:Binding affinity to human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Serono

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  1.50E+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 DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  3.00E+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 DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  1.80E+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 DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  3.30E+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 DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | 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 DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  1.49E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S fo...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Serono

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells assessed as reduction in tail current at membrane potential of +20 mVMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50151865(CHEMBL172 | MEFLOQUINE)
Affinity DataIC50:  667nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed