BDBM404317 ((1S)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2-pyrimidin-2-ylthiophen-3-yl)carbonyl]piperidin-3-yl}isoxazol-3-yl)ethanol) (Ex. 48) and ((1R)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2-pyrimidin-2-ylthiophen-3-yl)carbonyl]piperidin-3-yl}isoxazol-3-yl)ethanol) (Ex. 49)::US10017504, 48

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1cc(no1)[C@@H](O)C(F)(F)F

InChI Key InChIKey=WHCFQFSWDCGLFE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 404317   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM404317(((1S)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Affinity DataIC50: 113nMAssay 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
In Depth
Date in BDB:
6/1/2020
Entry Details
US Patent

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

US Patent
LigandPNGBDBM404317(((1S)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Affinity DataIC50: 1.00E+4nMAssay 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
In Depth
Date in BDB:
6/1/2020
Entry Details
US Patent