BDBM652584 N5-methyl-N5-((6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1332

SMILES CN(Cc1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F)c1cccc2c(N)nccc12

InChI Key InChIKey=KQMBIPMOCLQTTQ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 652584   

TargetCoagulation factor XII(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 652584BDBM652584(US20240059691, Example 1332 | N5-methyl-N5-((6-(3-...)
Affinity DataIC50: 6.50E+3nMAssay 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