BDBM652751 N6-((2-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4471

SMILES Nc1nccc2cc(NCc3ccnc(c3)N3CCn4c(C3)nnc4C(F)(F)F)ccc12

InChI Key InChIKey=IRPCNDSTFGMSKM-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 = 652751   

TargetCoagulation factor XII(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 652751BDBM652751(US20240059691, Example 4471 | N6-((2-(3-(trifluoro...)
Affinity DataIC50: 2.50E+4nMAssay 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