BDBM50543671 CHEMBL4649210

SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C(O)=O)ncn2)c(Cl)c1Cl)C(F)(F)F

InChI Key InChIKey=MNUCRODXGZMPCU-ZDUSSCGKSA-N

Data  4 IC50  1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50543671   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543671(CHEMBL4649210)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543671(CHEMBL4649210)
Affinity DataIC50:  15nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543671(CHEMBL4649210)
Affinity DataIC50:  50nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543671(CHEMBL4649210)
Affinity DataIC50:  790nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50543671(CHEMBL4649210)
Affinity DataIC50:  6.70E+3nMAssay Description:Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed