BDBM476513 (2S)-4[5-(3-cyanophenyl)-4-methyl- 4,5-dihydro-1,3-oxazol-2-yl]-1-[N-(1- methylethyl)-6-piperidin-1-yl-D- norleucyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 169

SMILES CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=NC(C)[C@H](c3cccc(C#N)c3)O2)C[C@H]1C(=O)NCc1cccs1

InChI Key InChIKey=OHVVSLPDQINFJE-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 = 476513   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476513BDBM476513((2S)-4[5-(3-cyanophenyl)-4-methyl- 4,5-dihydro-1,3...)
Affinity DataIC50: 12.5nMAssay 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