BDBM205107 3-methyl-2-{[(3r,6r)-6- methyl-1-{[2- (trifluoromethyl)phenyl]carbonyl} piperidin-3- yl]oxy}pyridine-4-carbonitrile::US9546152, example 17

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C(F)(F)F)Oc1nccc(C#N)c1C

InChI Key InChIKey=KHCMVIHRDMAXLD-UHFFFAOYSA-N

Data  4 KI  4 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 8 hits for monomerid = 205107   

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  3.10nMAssay Description:Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  3.10nMAssay 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

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 21nMAssay Description:Antagonist activity at human OX2R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 21nMAssay 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

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  1.16E+3nMAssay Description:Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataKi:  1.16E+3nMAssay 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

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 4.96E+3nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM205107(US9546152, example 17 | 3-methyl-2-{[(3r,6r)-6- me...)
Affinity DataIC50: 4.96E+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