BDBM285883 (S)-methyl [4-(2-{3-[5- chloro-2-(1H-tetrazol-1- yl)phenyl]-7-hydroxy-1- oxido-6,7-dihydro-5H- cyclopenta[b]pyridin-7-yl}- 1H-imidazol-5-yl)-3- fluorophenyl]carbamate::US10081617, Example 118::US10081617, Example 31

SMILES COC(=O)Nc1ccc(-c2cnc([nH]2)[C@]2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)c(F)c1

InChI Key InChIKey=WXBGJYOMURWXAB-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 285883   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM285883(US10081617, Example 118 | (S)-methyl [4-(2-{3-[5- ...)
Affinity DataIC50: 1.47nMpH: 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
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM285883(US10081617, Example 118 | (S)-methyl [4-(2-{3-[5- ...)
Affinity DataIC50: 0.280nMpH: 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
Go to US Patent