BDBM419283 (3S)-1-{5-tert-Butyl-3-[(2-chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}pyrrolidine-3-thiol or enantiomer::US10457685, Example 12

SMILES CC(C)(C)c1nc(N2CC[C@H](S)C2)c2nnn(Cc3ccccc3Cl)c2n1

InChI Key InChIKey=SURAYFKZYQAPAQ-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 = 419283   

TargetCannabinoid receptor 2(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 419283BDBM419283((3S)-1-{5-tert-Butyl-3-[(2-chlorophenyl)methyl]-3H...)
Affinity DataKi:  2.50E+3nMAssay Description:he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/7/2020
Entry Details
US Patent

TargetCannabinoid receptor 1(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 419283BDBM419283((3S)-1-{5-tert-Butyl-3-[(2-chlorophenyl)methyl]-3H...)
Affinity DataKi:  2.81E+3nMAssay Description:he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/7/2020
Entry Details
US Patent