BDBM476344 2-chlorophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 1

SMILES Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1

InChI Key InChIKey=RTQXVZKOBHSMPO-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 = 476344   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476344BDBM476344(2-chlorophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)...)
Affinity DataIC50: 27.7nMAssay 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