BDBM423171 US10501440, Example 3

SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N

InChI Key InChIKey=YNFHLIKBRGHMLO-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 423171   

TargetPlasma kallikrein(Rat)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM423171(US10501440, Example 3)
Affinity DataIC50: 0.700nMAssay Description:Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2020
Entry Details
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TargetPlasma kallikrein(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM423171(US10501440, Example 3)
Affinity DataKi:  0.300nMAssay Description:Human KLKB1 (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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2020
Entry Details
Go to US Patent