BDBM598687 2-((3R*,4R*)-4-((((5-fluoro-6- (methyl(((1r,4R)-4- (trifluoromethyl)cyclohexyl)methyl) amino)pyrimidin-4-yl)amino)methyl)-3- hydroxypiperidin-1-yl)acetamide 2nd eluting isomer::US11613532, Example A6-2-2

SMILES CN(C[C@H]1CC[C@H](CC1)C(F)(F)F)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F

InChI Key InChIKey=KFCROQASKYYUAJ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 598687   

TargetNuclear receptor ROR-gamma(Human)
Nuevolution

US Patent
LigandPNGBDBM598687(US11613532, Example A6-2-2 | 2-((3R*,4R*)-4-((((5-...)
Affinity DataIC50: 85nMAssay Description:The HEK293 cell line is co-transfected transiently with two plasmids, one with the RORγ ligand-binding domain fused to galactose-responsive tran...More data for this Ligand-Target Pair
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Date in BDB:
5/10/2023
Entry Details
US Patent