ChEMBL-derived CB2-selective compounds

The following are 35 CB2-selective compounds used for the enrichment study involving various CB2 structures. (see: CB1 & CB2 structures). In this study we used experimental CB2 structures firstly, to discriminate highly selective from weakly selective compounds and secondly, to discriminate actives from non-active compounds.
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Compound rank 1

CB2

CHEMBL294013
pKi: CB1 = 5.31, CB2 = 7.82

Compound rank 2

CB2

CHEMBL579241
pKi: CB1 = 5.37, CB2 = 8.04

Compound rank 3

CB2

CHEMBL2087109
pKi: CB1 = 5.44, CB2 = 8.20

Compound rank 4

CB2

CHEMBL2152807
pKi: CB1 = 5.45, CB2 = 7.82

Compound rank 5

CB2

CHEMBL599071
pKi: CB1 = 5.31, CB2 = 8.57

Compound rank 6

CB2

CHEMBL73711
pKi: CB1 = 5.49, CB2 = 8.04

Compound rank 7

CB2

CHEMBL1668515
pKi: CB1 = 5.26, CB2 = 8.01

Compound rank 8

CB2

CHEMBL3409322
pKi: CB1 = 5.32, CB2 = 8.41

Compound rank 9

CB2

CHEMBL576855
pKi: CB1 = 5.20, CB2 = 7.80

Compound rank 10

CB2

CHEMBL566248
pKi: CB1 = 5.42, CB2 = 7.62