BDBM206336 3-methoxy-2- ({(3r,6r)-6-methyl-1- [(2-pyrimidin-2- ylphenyl)carbonyl] piperidin-3- yl}oxy)pyridine-4- carbonitrile::US9546152, example 107

SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N

InChI Key InChIKey=VOSUQTIFHZJDIX-UHFFFAOYSA-N

Data  2 KI  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 4 hits for monomerid = 206336   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM206336(US9546152, example 107 | 3-methoxy-2- ({(3r,6r)-6-...)
Affinity DataKi:  0.400nMAssay Description:Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2018
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM206336(US9546152, example 107 | 3-methoxy-2- ({(3r,6r)-6-...)
Affinity DataIC50: 33nMAssay Description:The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2018
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM206336(US9546152, example 107 | 3-methoxy-2- ({(3r,6r)-6-...)
Affinity DataKi:  169nMAssay Description:Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2018
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM206336(US9546152, example 107 | 3-methoxy-2- ({(3r,6r)-6-...)
Affinity DataIC50: 2.75E+3nMAssay Description:The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2018
Entry Details
US Patent