BDBM50254758 (1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-3-methylpiperazin-1-ylsulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol::CHEMBL464234

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

InChI Key InChIKey=PMSFEOUVENKQAA-AMVBQIFNSA-N

Data  10 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 10 hits for monomerid = 50254758   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50:  1.36E+4nMAssay Description:Inhibition of CYP3A4 green (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 red (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 3(Mus musculus)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50:  158nMAssay Description:Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50:  50.1nMAssay 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 DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50:  31.6nMAssay 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 DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 3(Mus musculus)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50:  200nMAssay Description:Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50254758((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed