BDBM50543681 CHEMBL4644116

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

InChI Key InChIKey=JZWYAKQKQPTWNS-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50543681   

TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543681(CHEMBL4644116)
Affinity DataKd:  11nMAssay 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
LigandPNGBDBM50543681(CHEMBL4644116)
Affinity DataIC50: 45nMAssay 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
LigandPNGBDBM50543681(CHEMBL4644116)
Affinity DataIC50: 281nMAssay 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-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543681(CHEMBL4644116)
Affinity DataKd: >5.00E+4nMAssay 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