BDBM476458 (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4- [(4R,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 114

SMILES C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6

InChI Key InChIKey=CTYNKFLWABFRHE-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 476458   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM476458((2S)-1-(N,3-dicyclohexyl-D-alanyl)-4- [(4R,5S)-4-m...)
Affinity DataIC50: 17.1nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM476458((2S)-1-(N,3-dicyclohexyl-D-alanyl)-4- [(4R,5S)-4-m...)
Affinity DataIC50: 17nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)