BDBM317559 2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)amino)isonicotinonitrile ::US9624197, 1

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C#N

InChI Key InChIKey=UKZSHHHAVAKCOP-UHFFFAOYSA-N

Data  2 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 6 hits for monomerid = 317559   

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM317559(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Affinity DataKi:  0.900nMAssay 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
LigandPNGBDBM317559(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Affinity DataIC50: 29nMAssay 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
LigandPNGBDBM317559(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Affinity DataIC50: 29nMAssay Description:FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM317559(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Affinity DataKi:  287nMAssay 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
LigandPNGBDBM317559(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Affinity DataIC50: 1.74E+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
LigandPNGBDBM317559(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Affinity DataIC50: 1.74E+3nMAssay Description:FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
US Patent