BDBM398044 US10322140, Example 9

SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)c1cc([nH]n1)C(C)(C)C

InChI Key InChIKey=CVDOKUOTFBOGCC-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 398044   

TargetProteinase-activated receptor 1(Human)
TBA

US Patent
LigandPNGBDBM398044(US10322140, Example 9)
Affinity DataIC50: 14.5nMAssay 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
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TargetCytochrome P450 3A4(Human)
TBA

US Patent
LigandPNGBDBM398044(US10322140, Example 9)
Affinity DataIC50: 5.00E+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
Go to US Patent