BDBM394149 5-[5-chloro-2- (1H-tetrazol- 1-yl)phenyl]- 2-(1-{3-[1- (methylsulfonyl) piperidin-4- yl]phenyl}-2- phenylethyl) pyridine 1- oxide::US9975874, Example 22

SMILES CS(=O)(=O)N1CCC(CC1)c1cccc(c1)C(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=RFWROHBSGCEZDU-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 = 394149   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394149(US9975874, Example 22 | 5-[5-chloro-2- (1H-tetrazo...)
Affinity DataIC50: 59.4nMAssay 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
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Date in BDB:
4/10/2020
Entry Details
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TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394149(US9975874, Example 22 | 5-[5-chloro-2- (1H-tetrazo...)
Affinity DataIC50: 1.04E+3nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/10/2020
Entry Details
Go to US Patent