BDBM359688 Ethyl 1-{5-[(5-{[(1-aminoisoquinolin-6-yl)methyl]carbamoyl}pyridin-3-yl)methyl]pyridin-2-yl}pyrrolidine-3-carboxylate::US10221161, Example 72

SMILES CCOC(=O)C1CCN(C1)c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1

InChI Key InChIKey=JLRATSDYYSCALN-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 = 359688   

TargetPlasma kallikrein(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 359688BDBM359688(US10221161, Example 72 | Ethyl 1-{5-[(5-{[(1-amino...)
Affinity DataIC50: 860nMAssay Description:Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2019
Entry Details
US Patent

TargetKallikrein-1(Human)
Kalvista Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 359688BDBM359688(US10221161, Example 72 | Ethyl 1-{5-[(5-{[(1-amino...)
Affinity DataIC50: 3.62E+3nMAssay Description:KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2019
Entry Details
US Patent