BDBM202473 US9546152, example 1

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc(C#N)c1C

InChI Key InChIKey=BLMDZTJHXQWVJS-CRAIPNDOSA-N

Data  4 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 202473   

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataKi:  0.400nMAssay 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(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataKi:  0.400nMAssay 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(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataKi:  114nMAssay 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(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataKi:  114nMAssay 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(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataIC50:  996nMAssay 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(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataIC50:  8nMAssay 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(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataIC50:  8nMAssay 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(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM202473(US9546152, example 1)
Affinity DataIC50:  996nMAssay 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