BDBM50543680 CHEMBL4649427

SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F

InChI Key InChIKey=DPLDVWYMOZMXLB-UHFFFAOYSA-N

Data  5 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50543680   

TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543680(CHEMBL4649427)
Affinity DataKd:  0.700nMAssay 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
LigandPNGBDBM50543680(CHEMBL4649427)
Affinity DataIC50: 33nMAssay 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
LigandPNGBDBM50543680(CHEMBL4649427)
Affinity DataIC50: 91nMAssay 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
TargetNuclear receptor ROR-gamma(Mouse)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543680(CHEMBL4649427)
Affinity DataIC50: 196nMAssay 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
TargetCytochrome P450 2C19(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543680(CHEMBL4649427)
Affinity DataIC50: 6.70E+3nMAssay Description:Inhibition of CYP2C19 (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
LigandPNGBDBM50543680(CHEMBL4649427)
Affinity DataIC50: 6.00E+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-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543680(CHEMBL4649427)
Affinity DataKd:  9.78E+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