BDBM598414 1-((2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-7-yl)methyl)-N-(2-fluoro-3-methoxy-6- (4-methyl-1H-1,2,3-triazol-1-yl)benzyl)-3-(methoxymethyl)-1H-pyrazole-4- carboxamide::US11613527, Example 18

SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C2CCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cc(C)nn1

InChI Key InChIKey=JPGFDJRAXZHQOA-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 598414   

TargetPlasma kallikrein(Human)
Kalvista Pharmaceuticals

US Patent
LigandPNGBDBM598414(US11613527, Example 18 | 1-((2-cyclobutyl-1,2,3,4-...)
Affinity DataIC50: 10nMAssay 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:
5/9/2023
Entry Details
Go to US Patent

TargetKallikrein-1(Human)
Kalvista Pharmaceuticals

US Patent
LigandPNGBDBM598414(US11613527, Example 18 | 1-((2-cyclobutyl-1,2,3,4-...)
Affinity DataIC50: 4.00E+4nMAssay 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:
5/9/2023
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Kalvista Pharmaceuticals

US Patent
LigandPNGBDBM598414(US11613527, Example 18 | 1-((2-cyclobutyl-1,2,3,4-...)
Affinity DataIC50: 4.00E+4nMAssay Description:FXIa 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:
5/9/2023
Entry Details
Go to US Patent