BDBM652759 N5-((4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)thiophen- 2-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 8459

SMILES Nc1nccc2c(NCc3cc(cs3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12

InChI Key InChIKey=ZARUCMDKBCWDCG-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 652759   

TargetCoagulation factor XII(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 652759BDBM652759(US20240059691, Example 8459 | N5-((4-(3-(trifluoro...)
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