BDBM498917 (5R)-6-[(3S,4R)-4-[(6- azaspiro[2.5]oct-6- ylcarbonyl)amino]-3- (benzylcarbamoyl)pi- peridin-1-yl]-5- (cyclohexylamino)- N,N,N-trimethyl-6- oxohexan-1-aminium::US11014920, Compound 25

SMILES C[N+](C)(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1ccccc1

InChI Key InChIKey=NSNVDMYULRJRPK-UHFFFAOYSA-O

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 = 498917   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM498917((5R)-6-[(3S,4R)-4-[(6- azaspiro[2.5]oct-6- ylcarbo...)
Affinity DataIC50: 5nMAssay 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
In Depth
Date in BDB:
11/22/2021
Entry Details
Go to US Patent