BDBM205141 2-({(3r,6r)-1-[(6-methoxy- 2,4'-bipyridin-3-yl)carbonyl]- 6-methylpiperidin-3-yl}oxy)-3- methylpyridine-4-carbonitrile::US9546152, example 48

SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)-c1ccncc1

InChI Key InChIKey=DDQFSNGVSUTALS-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 = 205141   

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataKi:  8.90nMAssay 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
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataKi:  8.90nMAssay 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
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataIC50: 65nMAssay 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
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataIC50: 65nMAssay 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
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataKi:  5.77E+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
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataKi:  5.77E+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
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataIC50: 1.00E+4nMAssay 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
LigandPNGBDBM205141(US9546152, example 48 | 2-({(3r,6r)-1-[(6-methoxy-...)
Affinity DataIC50: 1.00E+4nMAssay 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