BDBM414250 US10435369, Example 137

SMILES CC(C)(O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key InChIKey=JZUVTKBHDNIOHD-MIZPHKNDSA-N

Data  8 IC50  10 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 414250   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  6nMAssay Description:Inverse agonist activity of potential ligands to RORγ was measured by inhibition of luminescence in a Gal4-luciferase reporter assay in Jurkat c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50:  50nMAssay Description:Inverse agonist activity at RORgammat in human whole blood assessed as inhibition of anti-CD3/anti-CD28 monoclonal antibodies-stimulated IL-17A produ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50:  3.60nMAssay Description:Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50:  50nMAssay Description:Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as suppression of IL17 preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-gamma(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50:  2.70nMAssay Description:Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of CD3/CD28/IL-1/IL-23-induced IL-17A production measured after 24 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at Gal4-fused RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at Gal4-fused RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50: >5.00E+3nMAssay Description:Inverse agonist activity at PXR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50: >5.00E+3nMAssay Description:Inverse agonist activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50: >5.00E+3nMAssay Description:Inverse agonist activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of human ERG by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM414250(US10435369, Example 137)
Affinity DataEC50:  4nMAssay Description:Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB