BDBM104692 US8569311, E-5

SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1

InChI Key InChIKey=NPFDWHQSDBWQLH-QZTJIDSGSA-N

Data  12 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 104692   

TargetOrexin receptor type 2(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  0.200nMAssay 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 DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  0.300nMAssay Description:Binding affinity to orexin receptor 2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  0.300nMAssay Description:Antagonist activity at human OX2R by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  0.300nMAssay Description:Binding affinity to OX2R (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  0.300nMAssay Description:Antagonist activity at orexin-2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Rattus norvegicus (Rat))
Merch Sharp & Dohme

US Patent
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  0.310nMAssay Description:Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
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
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  2.20nMAssay Description:Binding affinity to OX1R (unknown origin)More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  2.5nMAssay Description:Antagonist activity at orexin-1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  2.5nMAssay Description:Binding affinity to orexin receptor 1 (unknown origin)More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  2.90nMAssay Description:Antagonist activity at human OX2R by radioligand displacement assayMore data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Rattus norvegicus (Rat))
Merch Sharp & Dohme

US Patent
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataKi:  2.90nMAssay Description:Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataIC50:  17nMAssay Description:Antagonist activity at human OX2R by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at human OX1R expressed in CHO cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 ...More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at human OX2R expressed in CHO cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM104692(US8569311, E-5)
Affinity DataIC50:  16nMAssay Description:Antagonist activity at human OX2R by radioligand displacement assayMore data for this Ligand-Target Pair