BDBM294341 US9586950, 9::methyl 4-cyano-2-{[(3R,6R)-1-{[2- fluoro-6-(3-methyl-1,2,4-oxadiazol- 5-yl)phenyl]carbonyl}-6- methylpiperidin-3-yl]oxy}pyridine- 3-carboxylate

SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2nc(C)no2)nccc1C#N

InChI Key InChIKey=KGSOGWGWRGFKSM-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 = 294341   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM294341(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Affinity DataIC50: 38.8nMAssay Description:. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM294341(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Affinity DataIC50: 1.89E+3nMAssay Description:. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM294341(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Affinity DataKi:  1.10nMAssay Description:Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM294341(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Affinity DataKi:  170nMAssay Description:Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent