BDBM373240 US9896452, Ex. A1::US9896452, Example 103::rac-((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone

SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-c1cnn(C)c1

InChI Key InChIKey=XHXUTIQEYCEZLE-VGOFRKELSA-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 373240   

TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Eolas Therapeutics

US Patent
LigandPNGBDBM373240(US9896452, Ex. A1 | US9896452, Example 103 | rac-(...)
Affinity DataIC50:  4nMAssay Description:Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin receptor type 2(Homo sapiens (Human))
Eolas Therapeutics

US Patent
LigandPNGBDBM373240(US9896452, Ex. A1 | US9896452, Example 103 | rac-(...)
Affinity DataIC50:  4.00E+3nMAssay Description:Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Eolas Therapeutics

US Patent
LigandPNGBDBM373240(US9896452, Ex. A1 | US9896452, Example 103 | rac-(...)
Affinity DataIC50:  2nMAssay Description:Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin receptor type 2(Homo sapiens (Human))
Eolas Therapeutics

US Patent
LigandPNGBDBM373240(US9896452, Ex. A1 | US9896452, Example 103 | rac-(...)
Affinity DataIC50:  6.00E+3nMAssay Description:Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent