BDBM476465 (2S)-1-{N-(1-methylethyl)-3-[1-(1- methylethyl)piperidin-4-yl]-D-alanyl}- 4-[(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 121

SMILES CC(C)N[C@H](CC1CCN(C(C)C)CC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cccs1

InChI Key InChIKey=QABSCUFOMVVDOJ-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 = 476465   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476465BDBM476465((2S)-1-{N-(1-methylethyl)-3-[1-(1- methylethyl)pip...)
Affinity DataIC50: 10nMAssay 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