BDBM285940 2-{7-[4-(6-amino-2- chloropyridin-3-yl)-1H- imidazol-2-yl]-7-hydroxy-4- methoxy-1-oxido-6,7-dihydro- 5H-cyclopenta[b]pyridin-3-yl}- 4-chlorobenzonitrile::US10081617, Example 87::US10081617, Example 88

SMILES COc1c2CCC(O)(c3nc(c[nH]3)-c3ccc(N)nc3Cl)c2[n+]([O-])cc1-c1cc(Cl)ccc1C#N

InChI Key InChIKey=LVUAQGCZPZNZTJ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 285940   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM285940(US10081617, Example 88 | 2-{7-[4-(6-amino-2- chlor...)
Affinity DataIC50: 1.97nMpH: 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
LigandPNGBDBM285940(US10081617, Example 88 | 2-{7-[4-(6-amino-2- chlor...)
Affinity DataIC50: 103nMpH: 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