BDBM476359 US10875851, Example 15::US10875851, Example 17::naphthalen-1-yl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate

SMILES O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2cccc3ccccc23)CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CC1)CCN(Cc1ccccc1)C2

InChI Key InChIKey=XNEQJCWZCJRCEG-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 476359   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476359BDBM476359(US10875851, Example 17 | naphthalen-1-yl (3S)-4-[N...)
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

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476359BDBM476359(US10875851, Example 17 | naphthalen-1-yl (3S)-4-[N...)
Affinity DataIC50: 16.6nMAssay 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