BDBM352729 (S)-tert-butyl (2-(2-propionamidoethyl)-4- ((3-(trifluoromethyl)phenyl)sulfonyl)-3,4- dihydro-2H-benzo[b][1,4]oxazin-6- yl)carbamate::US10745364, Example 53A::US9809561, 53A

SMILES CCC(=O)NCC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C)ccc2O1)S(=O)(=O)c1cccc(c1)C(F)(F)F

InChI Key InChIKey=KNMXAONVZCRUQS-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 352729   

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

US Patent
LigandPNGBDBM352729(US9809561, 53A | (S)-tert-butyl (2-(2-propionamido...)
Affinity DataIC50: 4.07nMAssay 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
In Depth
Date in BDB:
10/7/2019
Entry Details
US Patent

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

US Patent
LigandPNGBDBM352729(US9809561, 53A | (S)-tert-butyl (2-(2-propionamido...)
Affinity DataIC50: 4.07nMAssay 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
In Depth
Date in BDB:
4/13/2021
Entry Details
US Patent