BDBM316500 2-{[(3R,6R)-6-methyl-1-{[2- (methylsulfanyl)phenyl]carbonyl} piperidin-3-yl]sulfanyl}pyridine-4- carbonitrile::US9617246, 34

SMILES CSc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Sc1cc(ccn1)C#N

InChI Key InChIKey=WMOLFBBUJPBDKQ-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 = 316500   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM316500(2-{[(3R,6R)-6-methyl-1-{[2- (methylsulfanyl)phenyl...)
Affinity DataIC50: 75.4nMAssay Description:In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2019
Entry Details
US Patent

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

US Patent
LigandPNGBDBM316500(2-{[(3R,6R)-6-methyl-1-{[2- (methylsulfanyl)phenyl...)
Affinity DataIC50: 8.72E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2019
Entry Details
US Patent