BDBM652459 3-[(5-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyrimidin-2-yl)amino]-1-(pyrrolidin-1- yl)propan-1-one::US20240059691, Example 1039

SMILES Nc1nccc2c(NCc3cnc(NCCC(=O)N4CCCC4)nc3)cccc12

InChI Key InChIKey=LQPBUGNVRFSDSO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 652459   

TargetCoagulation factor XII(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 652459BDBM652459(US20240059691, Example 1039 | 3-[(5-{[(1-aminoisoq...)
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

TargetPlasma kallikrein(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 652459BDBM652459(US20240059691, Example 1039 | 3-[(5-{[(1-aminoisoq...)
Affinity DataIC50: 7.00E+4nMAssay Description:In vitro inhibition of related proteases was determined using an (C50 assay based on standard literature methods (see e.g. Shori et al., Biochem. Pha...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent