BDBM307568 US10150751, Example 1

SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1C1(CCC1)C#N)Nc1cc(OCC(F)F)ccn1

InChI Key InChIKey=LKWLRBAIIMWSCQ-IAGOWNOFSA-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 = 307568   

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

US Patent
LigandPNGBDBM307568(US10150751, Example 1)
Affinity DataIC50:  4.04E+3nMAssay Description: All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...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
LigandPNGBDBM307568(US10150751, Example 1)
Affinity DataIC50:  58.3nMAssay Description: All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent