BDBM419910 US10472344, Example 4

SMILES NC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=XSNJFJLMDHYDKD-UHFFFAOYSA-N

Data  2 KI

  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 = 419910   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM419910(US10472344, Example 4)
Affinity DataKi:  1.30nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
9/14/2020
Entry Details
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TargetKallikrein-1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM419910(US10472344, Example 4)
Affinity DataKi:  36nMAssay Description:Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
9/14/2020
Entry Details
Go to US Patent