BDBM476384 2-chlorophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thieno[3,2- c]pyridin-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 40

SMILES Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1

InChI Key InChIKey=ZGAPDQZAHDNJOT-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 476384   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476384BDBM476384(2-chlorophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)...)
Affinity DataIC50: 27.3nMAssay 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