BDBM205111 3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1- methylethoxy)phenyl]carbonyl} piperidin-3-yl]oxy}pyridine- 4-carbonitrile::US9546152, example 21

SMILES CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C

InChI Key InChIKey=RPUQXHKHGDOMHY-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 = 205111   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM205111(US9546152, example 21 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  0.600nMAssay 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
LigandPNGBDBM205111(US9546152, example 21 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 8nMAssay 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
LigandPNGBDBM205111(US9546152, example 21 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  605nMAssay 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
LigandPNGBDBM205111(US9546152, example 21 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 1.96E+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