BDBM97406 Orexin receptor antagonist 1::US20130102619, 1

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#N

InChI Key InChIKey=FOEWIXNBXKVERV-UHFFFAOYSA-N

Data  6 KI  6 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 12 hits for monomerid = 97406   

TargetOrexin receptor type 2(Rat)
TBA

US Patent
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataIC50: 12nMT: 2°CAssay Description:Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove's modified DMEM containing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2013
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Rat)
TBA

US Patent
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataIC50: 3.65E+3nMT: 2°CAssay Description:Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove's modified DMEM containing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2013
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataIC50: 3.80E+3nMAssay Description:Antagonist activity against human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataIC50: 13nMAssay Description:Antagonist activity against human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataIC50: 9nMAssay 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/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataIC50: 3.20E+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 receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataKi:  1.60nMAssay Description:The inhibition constant (Ki) is determined using a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-14...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2013
Entry Details
Go to US Patent

TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataKi:  1.60nMAssay 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 ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataKi:  1.60nMAssay 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/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataKi:  813nMAssay Description:The inhibition constant (Ki) is determined using a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-14...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2013
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataKi:  829nMAssay 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 Research Laboratories

Curated by ChEMBL
LigandPNGBDBM97406(Orexin receptor antagonist 1 | US20130102619, 1)
Affinity DataKi:  830nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed