BDBM598446 N-{[6-(3-cyanopyrazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl}-1-[(2-ethyl-3,4- dihydro-1H-isoquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide::US11613527, Example 52

SMILES CCN1CCc2cc(Cn3cc(C(=O)NCc4c(F)c(OC)ccc4-n4ccc(n4)C#N)c(COC)n3)ccc2C1

InChI Key InChIKey=GTQFHHSWSXFPHL-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 = 598446   

TargetPlasma kallikrein(Human)
Kalvista Pharmaceuticals

US Patent
LigandPNGBDBM598446(US11613527, Example 52 | N-{[6-(3-cyanopyrazol-1-y...)
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
LigandPNGBDBM598446(US11613527, Example 52 | N-{[6-(3-cyanopyrazol-1-y...)
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
LigandPNGBDBM598446(US11613527, Example 52 | N-{[6-(3-cyanopyrazol-1-y...)
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