BDBM202595 US9546152, example 2

SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)-n1nccn1

InChI Key InChIKey=VBNZBEIKQYOXMG-RHSMWYFYSA-N

Data  4 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 8 hits for monomerid = 202595   

TargetOrexin receptor type 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataKi:  3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataKi:  3nMAssay Description:Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataKi:  3.57E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataKi:  3.57E+3nMAssay Description:Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataIC50:  5.93E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataIC50:  21nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataIC50:  21nMAssay Description:The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM202595(US9546152, example 2)
Affinity DataIC50:  5.93E+3nMAssay Description:The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent