BDBM394161 5-[5-chloro-2- (1H-tetrazol- 1-yl)phenyl]- 2-[(1S)-1-{3- [1-(oxetan-2- ylcarbonyl) piperidin-4- yl]phenyl}-2- phenylethyl] pyridine 1- oxide::US9975874, Example 35

SMILES Clc1ccc(c(c1)-c1ccc([nH+]c1)[C@@H](Cc1ccccc1)c1cccc(c1)C1CCN(CC1)C(=O)C1CCO1)-n1cnnn1

InChI Key InChIKey=FGNYZFBGTYKJNE-UHFFFAOYSA-O

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 = 394161   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394161(US9975874, Example 35 | 5-[5-chloro-2- (1H-tetrazo...)
Affinity DataIC50: 12.2nMAssay 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:
4/10/2020
Entry Details
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TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394161(US9975874, Example 35 | 5-[5-chloro-2- (1H-tetrazo...)
Affinity DataIC50: 403nMAssay 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