BDBM285867 US10081617, Example 16

SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@]1(O)C[C@H](O)c2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=MLAOPDROHRFZGW-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 285867   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM285867(US10081617, Example 16)
Affinity DataIC50: 0.520nMpH: 7.4Assay 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
In Depth
Date in BDB:
1/12/2019
Entry Details
Go to US Patent