BDBM476370 US10875851, Example 26::naphthalen-1-yl (3S)-3-{[4- (aminomethyl)benzyl]carbamoyl}-4- (N,3-dicyclohexyl-D- alanyl)piperazine-1-carboxylate

SMILES NCc1ccc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2cccc3ccccc23)cc1

InChI Key InChIKey=WNQRDRNRVJMRQF-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 = 476370   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476370BDBM476370(naphthalen-1-yl (3S)-3-{[4- (aminomethyl)benzyl]ca...)
Affinity DataIC50: 8.40nMAssay 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