BDBM50312268 (1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4-triazol-3-yl]-thio}propyl)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane::CHEMBL1081867

SMILES Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1

InChI Key InChIKey=OTKZOEOQKWTXMD-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50312268   

TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50312268((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP1A2More 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
LigandPNGBDBM50312268((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50312268((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50312268((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50312268((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP3A4More 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
LigandPNGBDBM50312268((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Affinity DataIC50: 470nMAssay Description:Inhibition of human ERG by patch clamp electrophysiology 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
LigandPNGBDBM50312268((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Affinity DataIC50: 3.98E+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