BDBM394148 4-[3-(1-{5-[5- chloro-2-(1H- tetrazol-1- yl)phenyl]-1- oxidopyridin- 2-yl}-2- phenylethyl) phenyl]-N- methyl piperidine- 1-carboxamide::US9975874, Example 21::US9975874, Example 24

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

InChI Key InChIKey=GTBLDFWQINEPEV-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 394148   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394148(US9975874, Example 21 | 4-[3-(1-{5-[5- chloro-2-(1...)
Affinity DataIC50: 10.2nMAssay 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
Go to US Patent

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394148(US9975874, Example 21 | 4-[3-(1-{5-[5- chloro-2-(1...)
Affinity DataIC50: 496nMAssay 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

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394148(US9975874, Example 21 | 4-[3-(1-{5-[5- chloro-2-(1...)
Affinity DataIC50: 19nMAssay 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
Go to US Patent

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394148(US9975874, Example 21 | 4-[3-(1-{5-[5- chloro-2-(1...)
Affinity DataIC50: 714nMAssay 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