BDBM50254678 (1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-3-methylpiperazin-1-ylsulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one::CHEMBL480016

SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C

InChI Key InChIKey=UIILMPGHICZFBB-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50254678   

TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254678((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254678((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...)
Affinity DataIC50: 320nMAssay Description:Inhibition of CYP3A4 redMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254678((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...)
Affinity DataIC50: 6.30E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 3(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254678((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...)
Affinity DataIC50: 79.4nMAssay Description:Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 3(Mouse)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254678((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...)
Affinity DataIC50: 501nMAssay Description:Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed