BDBM154947 US9000029, 26

SMILES Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C

InChI Key InChIKey=NHPQGZOBHSVTAQ-UHFFFAOYSA-N

Data  2 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 154947   

TargetOrexin/Hypocretin receptor type 1(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataIC50: 30nMT: 2°CAssay Description:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2015
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataIC50: 5nMT: 2°CAssay Description:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2015
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataIC50: 60nMAssay Description:Antagonist activity at recombinant orexin-1 receptor (unknown origin) expressed in CHO cells assessed as inhibition of orexin-A-induced Ca2+ flux pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataIC50: 11nMAssay Description:Antagonist activity at recombinant orexin-2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of orexin-A-induced Ca2+ flux pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM154947(US9000029, 26)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2017
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataIC50: 60nMAssay Description:Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataIC50: 11nMAssay Description:Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2017
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM154947(US9000029, 26)
Affinity DataKi:  6.30nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)