BDBM652580 (S*)-N5-((6-(8-ethyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)-4-methylpyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1321

SMILES CC[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1

InChI Key InChIKey=MDQGIQALRKZEIZ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 652580   

TargetCoagulation factor XII(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 652580BDBM652580(US20240059691, Example 1321 | (S*)-N5-((6-(8-ethyl...)
Affinity DataIC50: 200nMAssay Description:In vitro inhibition of Factor XIIa was determined using an IC50 assay based on standard literature methods (see e.g Baeriswyl et al., ACS Chem. Biol....More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent