BDBM50197581 CHEMBL3929336::US10322140, Example 4

SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1nnc(N)o1

InChI Key InChIKey=YITQUHXDBATALH-RQSFRHHQSA-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 = 50197581   

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

Curated by ChEMBL
LigandPNGBDBM50197581(CHEMBL3929336 | US10322140, Example 4)
Affinity DataIC50:  3.10nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

US Patent
LigandPNGBDBM50197581(CHEMBL3929336 | US10322140, Example 4)
Affinity DataIC50:  9.90E+3nMAssay 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 DepthDetails US Patent
TargetProteinase-activated receptor 1(Homo sapiens (Human))
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50197581(CHEMBL3929336 | US10322140, Example 4)
Affinity DataIC50:  3.08nMAssay 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 DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

US Patent
LigandPNGBDBM50197581(CHEMBL3929336 | US10322140, Example 4)
Affinity DataIC50:  9.90E+3nMAssay 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 DepthDetails ArticlePubMed