BDBM398050 2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 6,6-difluoro-3,5- dimethyl-1-oxo-7a-(5- oxo-4,5-dihydro-1,3,4- oxadiazol-2- yl)octahydroisobenzo furan-4-yl)vinyl) pyridin-3-yl)-6- methylbenzonitrile::US10322140, Example 2

SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1n[nH]c(=O)o1

InChI Key InChIKey=AHGJWYZJXBIEGG-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 = 398050   

TargetProteinase-activated receptor 1(Human)
TBA

US Patent
LigandPNGBDBM398050(US10322140, Example 2 | 2-(6-((E)-2- ((3R,3aS,4R,5...)
Affinity DataIC50: 1.34nMAssay Description:Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2020
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
TBA

US Patent
LigandPNGBDBM398050(US10322140, Example 2 | 2-(6-((E)-2- ((3R,3aS,4R,5...)
Affinity DataIC50: 2.28E+4nMAssay Description:Compound dilutions and assay-ready plates were prepared on a TTP Labtech mosquito HTS. Assay conduction was fully automated on a customized Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2020
Entry Details
US Patent