BDBM50197613 CHEMBL3940415::US10322140, Example 1

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)c1n[nH]c(=O)o1

InChI Key InChIKey=VUPRNTCJYFKOPE-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50197613   

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

Curated by ChEMBL
LigandPNGBDBM50197613(CHEMBL3940415 | US10322140, Example 1)
Affinity DataIC50: 2.18E+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
LigandPNGBDBM50197613(CHEMBL3940415 | US10322140, Example 1)
Affinity DataIC50: 4.20nMAssay 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
LigandPNGBDBM50197613(CHEMBL3940415 | US10322140, Example 1)
Affinity DataIC50: 2.18E+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