BDBM476471 (2S)-4-[(4S,5S)-5-(2-cyanophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-[N2-cyclohexyl-N6-(methylsulfonyl)- D-lysyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 127

SMILES C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1C#N

InChI Key InChIKey=UBEIAGOISNYVQV-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 476471   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476471BDBM476471((2S)-4-[(4S,5S)-5-(2-cyanophenyl)-4- methyl-4,5-di...)
Affinity DataIC50: 18.7nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2021
Entry Details
US Patent