BDBM498918 (5R)-6-{(3S,4R)-4-[(6- azaspiro[2.5]oct-6- ylcarbonyl)amino]-3- [(thiophen-2- ylmethy)carbamoyl]pi- peridin-1-yl}-5- (cyclohexylamino)-6- oxohexyl acetate::US11014920, Compound 26

SMILES CC(=O)OCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1

InChI Key InChIKey=JSBBHFZJVAUMTR-ZGIBFIJWSA-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 = 498918   

TargetCoagulation factor XII(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM498918((5R)-6-{(3S,4R)-4-[(6- azaspiro[2.5]oct-6- ylcarbo...)
Affinity DataIC50:  65.9nMAssay Description:Factor XIIa activity determinations were made in 50 mM HEPES buffer containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent