BDBM476440 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N2,N6,N6- trimethyl-D-lysyl]-4-(1,2,3,4- tetrahydroisoquinolin-5-ylacetyl)-N- (thiophen-2-ylmethyl)piperazine-2- carboxamide::US10875851, Example 96

SMILES CN(C)CCCC[C@H](C(=O)N1CCN(C(=O)Cc2cccc3c2CCNC3)C[C@H]1C(=O)NCc1cccs1)N(C)C1CCC2(CC1)CCN(Cc1ccccc1)C2

InChI Key InChIKey=WDMVALXQXAIRHT-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 = 476440   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476440BDBM476440((2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N2,...)
Affinity DataIC50: 11.9nMAssay 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