BDBM50108616 CHEMBL3597957::US9828368, Example 24

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1nc(c(C)o1)C(C)(C)O

InChI Key InChIKey=XBHFHVZZJPNRNM-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108616   

TargetOrexin receptor type 2(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50108616(CHEMBL3597957 | US9828368, Example 24)
Affinity DataIC50: 14nMAssay Description:Antagonist activity at orexin-2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50108616(CHEMBL3597957 | US9828368, Example 24)
Affinity DataIC50: 3.84E+3nMAssay Description:Antagonist activity at orexin-1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50108616(CHEMBL3597957 | US9828368, Example 24)
Affinity DataIC50: 13.5nMAssay Description:For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2019
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Rat)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50108616(CHEMBL3597957 | US9828368, Example 24)
Affinity DataIC50: 3.84E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2019
Entry Details
Go to US Patent