BDBM498912 N-{(3S,4R)-1-(N- cyclohexyl-3-piperidin- 4-yl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 20

SMILES O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)[C@@H](CC1CCNCC1)NC1CCCCC1

InChI Key InChIKey=JWJVRUOXORSRHO-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 498912   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM498912(N-{(3S,4R)-1-(N- cyclohexyl-3-piperidin- 4-yl-D-al...)
Affinity DataIC50: 47.2nMAssay 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
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