BDBM387100 5-((3aR, 7aR)-6-(2-(2H-1,2,3-triazol-2- yl)benzoyl)octahydro-1H-pyrrolo[2,3- c]pyridin-1-yl)-2-chloroisonicotinonitrile::US9938276, A14

SMILES O=C(N1CC[C@H]2CCN([C@H]2C1)c1nncc2scnc12)c1ccccc1-n1nccn1

InChI Key InChIKey=AYSRVJBYRFEZLE-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 = 387100   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 387100BDBM387100(5-((3aR, 7aR)-6-(2-(2H-1,2,3-triazol-2- yl)benzoyl...)
Affinity DataIC50: 1.00E+4nMAssay 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:
3/2/2020
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 387100BDBM387100(5-((3aR, 7aR)-6-(2-(2H-1,2,3-triazol-2- yl)benzoyl...)
Affinity DataIC50: 1.00E+4nMAssay 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:
3/2/2020
Entry Details
US Patent