BDBM448412 1-({4-Methyl-2-[(1R,5S,6R)-6-methyl-3-::US10695334, Example 101

SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ncc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1

InChI Key InChIKey=KPMLZMVKMHYYII-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448412   

TargetThymidine kinase, cytosolic(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM448412(US10695334, Example 101 | 1-({4-Methyl-2-[(1R,5S,6...)
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
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Date in BDB:
3/2/2021
Entry Details
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TargetPlasma kallikrein(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM448412(US10695334, Example 101 | 1-({4-Methyl-2-[(1R,5S,6...)
Affinity DataKi:  2nMAssay 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
In Depth
Date in BDB:
3/2/2021
Entry Details
Go to US Patent