BDBM203422 3-methyl-2-{[(3r,6r)-6- methyl-1-{[5-methyl-2-(2h- 1,2,3-triazol-2- yl)phenyl]carbonyl}piperidin- 3-yl]oxy}pyridine-4- carbonitrile::US9546152, example 6

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)Oc1nccc(C#N)c1C

InChI Key InChIKey=LPGBUZWCPFQMPT-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 = 203422   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM203422(US9546152, example 6 | 3-methyl-2-{[(3r,6r)-6- met...)
Affinity DataIC50: 7nMAssay 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 DepthDetails
US Patent

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

US Patent
LigandPNGBDBM203422(US9546152, example 6 | 3-methyl-2-{[(3r,6r)-6- met...)
Affinity DataIC50: 292nMAssay 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 DepthDetails
US Patent

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM203422(US9546152, example 6 | 3-methyl-2-{[(3r,6r)-6- met...)
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 DepthDetails
US Patent

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

US Patent
LigandPNGBDBM203422(US9546152, example 6 | 3-methyl-2-{[(3r,6r)-6- met...)
Affinity DataKi:  37nMAssay 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 DepthDetails
US Patent