BDBM476508 (2S)-4-[(4S,5S)-4-methyl-5-phenyl- 4,5-dihydro-1,3-oxazol-2-yl]-1-(6- piperidin-1-yl-D-norleucyl)-N- (thiophen-2-ylmethyl)piperazine-2- carboxamide::US10875851, Example 164

SMILES C[C@@H]1N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1

InChI Key InChIKey=CCAUOIFBIYOTNI-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 = 476508   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476508BDBM476508((2S)-4-[(4S,5S)-4-methyl-5-phenyl- 4,5-dihydro-1,3...)
Affinity DataIC50: 22.8nMAssay 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