BDBM50322853 (1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane::4-methyl-5-(4-methyl-5-(3-(1-(3-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propylthio)-4H-1,2,4-triazol-3-yl)oxazole::CHEMBL1081957::rac-4-methyl-5-(4-methyl-5-(3-(1-(3-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propylthio)-4H-1,2,4-triazol-3-yl)oxazole

SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C

InChI Key InChIKey=MLHRKLZCJRKSHO-UHFFFAOYSA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50322853   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 3.16E+3nMAssay Description:Displacement of [3H]dofetidile from human ERG by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 7.94E+3nMAssay Description:Displacement of [3H]dofetidile from human ERG by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 7.94E+3nMAssay Description:Displacement of [3H]dofetidile from human ERG by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322853((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 using diethoxyfluorescein as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed