BDBM448411 N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]-::US10695334, Example 100

SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1

InChI Key

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 = 448411   

TargetPlasma kallikrein(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM448411(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]- | US10...)
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 InfoPC cidPC sid
In DepthDetails US Patent
TargetThymidine kinase, cytosolic(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM448411(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]- | US10...)
Affinity DataIC50: >1.00E+4nMAssay Description:Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37° C. For ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent