BDBM50543667 CHEMBL4641138

SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(C(F)F)c1F)C(F)(F)F

InChI Key InChIKey=UHGQXGAUHHFUOQ-UHFFFAOYSA-N

Data  6 IC50  2 Kd

  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 8 hits for monomerid = 50543667   

TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataKd:  0.270nMAssay Description:Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataIC50: 13nMAssay Description:Binding affinity to recombinant human RORgammat transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataIC50: 250nMAssay Description:Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataIC50: 2.07E+3nMAssay Description:Binding affinity to recombinant human RORbeta transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Mouse)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataIC50: 2.50E+3nMAssay Description:Inverse agonist activity at RORgammat in mouse whole blood assessed as reduction in IL-17a productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataKd:  2.61E+3nMAssay Description:Binding affinity to RORbeta (unknown origin) assessed as dissociation constant by thermal shift binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543667(CHEMBL4641138)
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed