BDBM696406 N-{[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-({2-methyl-6-[(1R,5S,6S)-6-methyl-3-::US12091399, Example 87

SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cc(cn2)C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c(C)n1

InChI Key InChIKey=NZSRRZMZFLTTNM-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 = 696406   

TargetPlasma kallikrein(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM696406(N-{[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]me...)
Affinity DataIC50: 0.900nMAssay 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
LigandPNGBDBM696406(N-{[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]me...)
Affinity DataKi:  0.800nMAssay 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