BDBM205123 3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-2- yl)thiophen-3- yl]carbonyl}piperidin-3- yl]oxy}pyridine-4-carbonitrile::US9546152, example 32

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1nccs1)Oc1nccc(C#N)c1C

InChI Key InChIKey=CXPNMJKLLBPCNK-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 = 205123   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM205123(US9546152, example 32 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  0.700nMAssay 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
LigandPNGBDBM205123(US9546152, example 32 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 29nMAssay 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
LigandPNGBDBM205123(US9546152, example 32 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  516nMAssay 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
LigandPNGBDBM205123(US9546152, example 32 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 1.88E+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