BDBM404321 (1-Cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]isoxazol-3-yl}ethanol) (Ex. 52) and (1-Cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]isoxazol-3-yl}ethanol) (Ex. 53)::US10017504, 52

SMILES CON(C)C(=O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1

InChI Key InChIKey=MIBXPEQHKVZDQE-HUUCEWRRSA-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 = 404321   

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

US Patent
LigandPNGBDBM404321((1-Cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,...)
Affinity DataIC50:  2.36E+3nMAssay Description:n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM404321((1-Cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,...)
Affinity DataIC50:  47.3nMAssay Description:n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent