BDBM352757 (S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((4-fluorophenyl)sulfonyl)-2-(2- methyl-2-(methylsulfonamido)propyl)- 3,4-dihydro-2H-benzo[b][1,4]oxazin-6- yl)carbamate::US10745364, Example 57D::US9809561, 57D

SMILES CC(C)(C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O

InChI Key InChIKey=VFQVOGKHNRMHIC-KRWDZBQOSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 352757   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM352757((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((4-flu...)
Affinity DataIC50:  4.52nMAssay Description:The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM352757((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((4-flu...)
Affinity DataIC50:  4.52nMAssay Description:To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM352757((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((4-flu...)
Affinity DataIC50:  4.52nMAssay Description:HIS-tagged RORγ-LBD protein was recombinantly expressed in Escherichia coli. The RORγ-LBD protein was purified by Ni2+-affinity resin. Puri...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent