BDBM617830 US20230286958, Example 42

SMILES C[C@H](c1cnc(nc1C)N1C[C@H]2C[C@H]2C1=O)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1

InChI Key InChIKey=XEGXBZUWPPGCRR-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 617830   

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM617830(US20230286958, Example 42)
Affinity DataIC50: 0.700nMAssay Description:Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaC12, and 0.1% PEG 8000 (polyethylene glycol; Fishe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2023
Entry Details
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TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM617830(US20230286958, Example 42)
Affinity DataIC50: 1.52E+3nMAssay Description:Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2023
Entry Details
Go to US Patent