BDBM395693 1-[2-({(2R,5R)-5-[5-(1-hydroxy-1- methylethyl)-1,2,4-thiadiazol-3-yl]- 2-methylpiperidin-1- yl}carbonyl)phenyl]cyclopropane- carbonitrile::US10308645, Example 32

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1nsc(n1)C(C)(C)O

InChI Key InChIKey=WAYULQGSWBEHIR-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 395693   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM395693(US10308645, Example 32 | 1-[2-({(2R,5R)-5-[5-(1-hy...)
Affinity DataIC50: 18nMAssay 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
In Depth
Date in BDB:
4/15/2020
Entry Details
US Patent

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

US Patent
LigandPNGBDBM395693(US10308645, Example 32 | 1-[2-({(2R,5R)-5-[5-(1-hy...)
Affinity DataIC50: 2.42E+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
In Depth
Date in BDB:
4/15/2020
Entry Details
US Patent