BDBM476497 (2S)-N-[4-(aminomethyl)-3- methoxybenzyl]-4-[(5S)-4,4-dimethyl- 5-phenyl-4,5-dihydro-1,3-oxazol-2- yl]-1-(N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 153

SMILES COc1cc(CNC(=O)[C@@H]2CN(C3=NC(C)(C)[C@H](c4ccccc4)O3)CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C)ccc1CN

InChI Key InChIKey=IFPLTJKCLHXPQH-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 = 476497   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476497BDBM476497((2S)-N-[4-(aminomethyl)-3- methoxybenzyl]-4-[(5S)-...)
Affinity DataIC50: 7.40nMAssay 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