BDBM285950 US10081617, Example 97::methyl [3-chloro-4-(2-{3-[5- chloro-2-(4-cyano-1H-1,2,3- triazol-1-yl)phenyl]-7-hydroxy- 1-oxido-6,7-dihydro-5H- cyclopenta[b]pyridin-7-yl}-1H- imidazol-4-yl)phenyl]carbamate

SMILES COC(=O)Nc1ccc(-c2c[nH]c(n2)C2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cc(nn2)C#N)c(Cl)c1

InChI Key InChIKey=IHNNJALVTPMGNC-UHFFFAOYSA-N

Data  1 IC50

  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 = 285950   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM285950(US10081617, Example 97 | methyl [3-chloro-4-(2-{3-...)
Affinity DataIC50: 2.04nMpH: 7.4Assay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 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:
1/12/2019
Entry Details
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