BDBM476367 US10875851, Example 23::naphthalen-1-yl (3S)-4-[3- (aminomethyl)-N-cyclohexyl-D- phenylalanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate

SMILES NCc1cccc(C[C@@H](NC2CCCCC2)C(=O)N2CCN(C[C@H]2C(=O)NCc2cccs2)C(=O)Oc2cccc3ccccc23)c1

InChI Key InChIKey=HVCCZXWWRFJIPY-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 = 476367   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476367BDBM476367(naphthalen-1-yl (3S)-4-[3- (aminomethyl)-N-cyclohe...)
Affinity DataIC50: 18.8nMAssay 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