BDBM476451 2-chloro-3,4-dimethylphenyl (3S)-3- {[4-(aminomethyl)-3- methoxybenzyl]carbamoyl}-4-{(2R)- 2-[(2-benzyl-2-azaspiro[4.5]dec-8- yl)amino]butanoyl}piperazine-1- carboxylate::US10875851, Example 107

SMILES CC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccc(C)c(C)c2Cl)C[C@H]1C(=O)NCc1ccc(CN)c(OC)c1

InChI Key InChIKey=ILRYUBRXPHPWHS-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 = 476451   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476451BDBM476451(2-chloro-3,4-dimethylphenyl (3S)-3- {[4-(aminometh...)
Affinity DataIC50: 14nMAssay 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