BDBM404335 2-{3-[(3R,6R)-6-Methyl-1-{[4-(2H-1,2,3- triazol-2-yl)thiophen-3-yl]carbonyl} piperidin-3-yl]isothiazol-5- yl}propan-2-ol::US10017504, 66

SMILES CC(C)(O)c1cc(ns1)[C@@H]1CCCN(C1)C(=O)c1cscc1-n1nccn1

InChI Key InChIKey=BEJVWMBQGPDIEO-GFCCVEGCSA-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 = 404335   

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

US Patent
LigandPNGBDBM404335(2-{3-[(3R,6R)-6-Methyl-1-{[4-(2H-1,2,3- triazol-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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM404335(2-{3-[(3R,6R)-6-Methyl-1-{[4-(2H-1,2,3- triazol-2-...)
Affinity DataIC50:  21.1nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent