BDBM696366 1-[(6-{3-azabicyclo[3.1.0]hexan-3-yl}-::US12091399, Example 47

SMILES COc1nn(Cc2ccc(nc2)N2CC3CC3C2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=ZMXYYUWVTMOJQD-UHFFFAOYSA-N

Data  1 KI  1 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 = 696366   

TargetPlasma kallikrein(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM696366(1-[(6-{3-azabicyclo[3.1.0]hexan-3-yl}- | US1209139...)
Affinity DataIC50: 3nMAssay Description:Human PKK (0.01 U/mL; Enzyme Research Laboratories) or rat PKK (0.625 nM; produced in-house) was incubated for 1 h at rt with 0.10 μM fluorogeni...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM696366(1-[(6-{3-azabicyclo[3.1.0]hexan-3-yl}- | US1209139...)
Affinity DataKi:  0.700nMAssay Description:Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent