BDBM419115 (3S)-1-(5-tert-Butyl-2-{[2-(isothiocyanatomethyl)phenyl]methyl}-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-3-ol::US10450321, Example 3

SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2nn(Cc3ccccc3CSC#N)nc2n1

InChI Key InChIKey=UNFFXTGEFRBOPX-UHFFFAOYSA-N

Data  2 KI

  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 = 419115   

TargetCannabinoid receptor 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM419115(US10450321, Example 3 | (3S)-1-(5-tert-Butyl-2-{[2...)
Affinity DataKi:  529nMAssay Description:The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details
US Patent

TargetCannabinoid receptor 1(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM419115(US10450321, Example 3 | (3S)-1-(5-tert-Butyl-2-{[2...)
Affinity DataKi: >1.00E+4nMAssay Description:The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details
US Patent