BDBM289802 Methyl (4-(((S)-4-(azetidin-1-yl)-1-((R)-6-chloro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3′-pyrrolidin]-1′-yl)-1-oxobutan-2-yl)carbamoyl)phenyl)carbamate::US10093683, Example 112

SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCN1CCC1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21

InChI Key InChIKey=ZQNYJUFTLDXIIN-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 289802   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289802(Methyl (4-(((S)-4-(azetidin-1-yl)-1-((R)-6-chloro-...)
Affinity DataKi:  219nM ΔG°:  -9.08kcal/molepH: 7.4 T: 2°CAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2019
Entry Details
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