BDBM206340 2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)carbonyl]-6- methylpiperidin-3-yl}oxy)-3- methoxypyridine-4- carbonitrile::US9546152, example 111

SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N

InChI Key InChIKey=YXBJWJJJHTZCEJ-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 206340   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM206340(US9546152, example 111 | 2-({(3r,6r)-1-[(5-fluoro-...)
Affinity DataKi:  0.300nMAssay 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
LigandPNGBDBM206340(US9546152, example 111 | 2-({(3r,6r)-1-[(5-fluoro-...)
Affinity DataIC50: 18nMAssay 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
LigandPNGBDBM206340(US9546152, example 111 | 2-({(3r,6r)-1-[(5-fluoro-...)
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
LigandPNGBDBM206340(US9546152, example 111 | 2-({(3r,6r)-1-[(5-fluoro-...)
Affinity DataIC50: 945nMAssay 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