BDBM316475 2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- yl)phenyl]carbonyl}piperidin-3- yl]sulfanyl}pyridine-4-carbonitrile::US9617246, 9

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Sc1cc(ccn1)C#N

InChI Key InChIKey=RUBZNQFRBGEBLL-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 = 316475   

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM316475(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Affinity DataKi:  1.70nMAssay 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
LigandPNGBDBM316475(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Affinity DataIC50: 13nMAssay 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
LigandPNGBDBM316475(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Affinity DataIC50: 13.5nMAssay Description:In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2019
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM316475(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Affinity DataKi:  324nMAssay 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
LigandPNGBDBM316475(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Affinity DataIC50: 1.41E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2019
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM316475(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Affinity DataIC50: 1.41E+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