BDBM398064 2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 7a-(1,5-dimethyl-1H- pyrazol-3-yl)-6,6- difluoro-3,5-dimethyl- 1-oxooctahydroiso benzofuran-4- yl)vinyl)pyridin-3- yl)benzonitrile::US10322140, Example 11

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)c1cc(C)n(C)n1

InChI Key InChIKey=BMPPHXMJINFUFY-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 398064   

TargetProteinase-activated receptor 1(Human)
TBA

US Patent
LigandPNGBDBM398064(US10322140, Example 11 | 2-(6-((E)-2- ((3R,3aS,4R,...)
Affinity DataIC50: 6.30nMAssay 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
LigandPNGBDBM398064(US10322140, Example 11 | 2-(6-((E)-2- ((3R,3aS,4R,...)
Affinity DataIC50: 1.76E+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