BDBM50197612 CHEMBL3968866::US10322140, Example 8

SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1cccc(F)c1)c1n[nH]c(=O)o1

InChI Key InChIKey=URWDKKQCBWUKCV-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50197612   

TargetProteinase-activated receptor 1(Human)
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50197612(CHEMBL3968866 | US10322140, Example 8)
Affinity DataIC50: 29nMAssay Description:Antagonist activity at PAR-1 in HEK293 cells incubated for 30 mins followed by Ala-parafluoroPhe-Arg-Cha-Cit-Try-NH2 substrate addition by calcium-5 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2018
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50197612(CHEMBL3968866 | US10322140, Example 8)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins in presence of NADP by rapidfire/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2018
Entry Details Article
PubMed
TargetProteinase-activated receptor 1(Human)
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50197612(CHEMBL3968866 | US10322140, Example 8)
Affinity DataIC50: 28.7nMAssay 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
Go to US Patent

TargetCytochrome P450 3A4(Human)
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50197612(CHEMBL3968866 | US10322140, Example 8)
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