BDBM476477 (2S)-1-{N2-[4- (aminomethyl)cyclohexyl]-N6,N6- dimethyl-D-lysyl}-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 133

SMILES C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCC(CN)CC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1

InChI Key InChIKey=BJRDXVMPTYHKHN-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 = 476477   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476477BDBM476477((2S)-1-{N2-[4- (aminomethyl)cyclohexyl]-N6,N6- dim...)
Affinity DataIC50: 6.60nMAssay 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