Compile Data Set for Download or QSAR
Found 13159 Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2'
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353092(CHEMBL1822945)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27N3O4/c1-3-4-5-14-30-21-19(29-2)7-6-17-15-18(23(28)26-20(17)21)22(27)25-13-10-16-8-11-24-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353089(CHEMBL1822939)
Show SMILES CCCCCc1cc2cc(C(=O)OC)c(=O)[nH]c2c(O)c1OC
Show InChI InChI=1S/C17H21NO5/c1-4-5-6-7-10-8-11-9-12(17(21)23-3)16(20)18-13(11)14(19)15(10)22-2/h8-9,19H,4-7H2,1-3H3,(H,18,20)
Affinity DataKi:  0.0140nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50308541(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
Affinity DataKi:  0.0190nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50308541(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
Affinity DataKi:  0.0190nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353091(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
Affinity DataKi:  0.0200nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353091(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
Affinity DataKi:  0.0200nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353091(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
Affinity DataKi:  0.0200nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073061(CHEMBL3410832)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
Affinity DataKi:  0.0210nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073061(CHEMBL3410832)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
Affinity DataKi:  0.0210nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353086(CHEMBL1822940)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)
Affinity DataKi:  0.0210nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50180036((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
Affinity DataKi:  0.0230nMAssay Description:Displacement of [3H]CP-55940 from human recombinant CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073068(CHEMBL3410813)
Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC
Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataKi:  0.0260nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073068(CHEMBL3410813)
Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC
Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33)
Affinity DataKi:  0.0260nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50330773(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
Affinity DataKi:  0.0320nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353093(CHEMBL1822946)
Show SMILES CCCCOc1c(OC)ccc2cc(C(O)=O)c(=O)[nH]c12
Show InChI InChI=1S/C15H17NO5/c1-3-4-7-21-13-11(20-2)6-5-9-8-10(15(18)19)14(17)16-12(9)13/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
Affinity DataKi:  0.0320nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50006257(CHEMBL3233404)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(OO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-20(25)22-18-15-17(28-26)10-11-19(18)24(4,5)27-21(22)14-16/h10,13-14,18-19,25-26H,6-9,11-12,15H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  0.0320nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50454329(CHEMBL2112647)
Show SMILES CC(C)(C)CCCCCc1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
Affinity DataKi:  0.0320nMAssay Description:Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparationMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353087(CHEMBL1822941)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-6-16-13-17-14-19(24(30)27-20(17)21(28)22(16)31-2)23(29)26-12-11-15-7-9-18(25)10-8-15/h7-10,13-14,28H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
Affinity DataKi:  0.0360nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM50200169(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
Affinity DataKi:  0.0370nMAssay Description:Displacement of [3H]CP-55,940 from CB2 receptor in CD-1 mouse spleen homogenate after 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50200169(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
Affinity DataKi:  0.0370nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50200169(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
Affinity DataKi:  0.0370nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM21280(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
Affinity DataKi:  0.0400nMMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM50200169(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50200169(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]CP 55940 from human CB2 receptor in cell free systemMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353088(CHEMBL1822942)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c2c(O)c1OC
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-7-17-14-18-15-20(25(31)28(2)21(18)22(29)23(17)32-3)24(30)27-13-12-16-8-10-19(26)11-9-16/h8-11,14-15,29H,4-7,12-13H2,1-3H3,(H,27,30)
Affinity DataKi:  0.0430nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM21280(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
Affinity DataKi:  0.0500nMMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50072968(CHEMBL3410818)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
Affinity DataKi:  0.0530nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50072968(CHEMBL3410818)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
Affinity DataKi:  0.0530nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353090(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
Affinity DataKi:  0.0849nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353090(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
Affinity DataKi:  0.0850nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50353090(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
Affinity DataKi:  0.0850nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073005(CHEMBL3410729)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)oc12
Show InChI InChI=1S/C24H25NO7/c1-3-4-5-10-29-22-19(28-2)9-7-16-12-17(24(27)32-21(16)22)23(26)25-13-15-6-8-18-20(11-15)31-14-30-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,26)
Affinity DataKi:  0.0869nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073005(CHEMBL3410729)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)oc12
Show InChI InChI=1S/C24H25NO7/c1-3-4-5-10-29-22-19(28-2)9-7-16-12-17(24(27)32-21(16)22)23(26)25-13-15-6-8-18-20(11-15)31-14-30-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,26)
Affinity DataKi:  0.0870nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM85739(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
Affinity DataKi:  0.0870nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073000(CHEMBL3410826)
Show SMILES CCCCCNc1c2CN(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3
Affinity DataKi:  0.0879nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073000(CHEMBL3410826)
Show SMILES CCCCCNc1c2CN(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3
Affinity DataKi:  0.0880nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50072967(CHEMBL3410817)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H24N2O4/c1-3-13-28-20-18(27-2)10-9-16-14-17(22(26)24-19(16)20)21(25)23-12-11-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
Affinity DataKi:  0.0900nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50072967(CHEMBL3410817)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H24N2O4/c1-3-13-28-20-18(27-2)10-9-16-14-17(22(26)24-19(16)20)21(25)23-12-11-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
Affinity DataKi:  0.0900nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50392561(CHEMBL2152813)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranesMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50303527((2,2,3,3-Tetramethylcyclopropyl)(1-(4,4,4-trifluor...)
Show SMILES CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C
Show InChI InChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM50233601(CHEMBL4062745)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCC#N
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM21301(7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP 55940 from human CB2 receptor in cell free systemMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM50463772(CHEMBL4239190)
Show SMILES C\C(=N\OCCCC#N)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50491838(CHEMBL2387185)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC(C)(C)c2ccccc2)c1=O
Show InChI InChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50392560(CHEMBL2152812)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C30H36N2O2S/c1-5-6-16-32-19-24(27(34)31-28-29(2,3)20-14-15-30(28,4)18-20)26(33)23-13-12-22(17-25(23)32)35-21-10-8-7-9-11-21/h7-13,17,19-20,28H,5-6,14-16,18H2,1-4H3,(H,31,34)/t20?,28-,30-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranesMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM50532777(CHEMBL4470925)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

Curated by ChEMBL
LigandPNGBDBM50532777(CHEMBL4470925)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073001(CHEMBL3410827)
Show SMILES CCCCCOc1ccc2C(=O)N(CCc3ccc(N)cc3)Cc2c1OCCCCC
Show InChI InChI=1S/C26H36N2O3/c1-3-5-7-17-30-24-14-13-22-23(25(24)31-18-8-6-4-2)19-28(26(22)29)16-15-20-9-11-21(27)12-10-20/h9-14H,3-8,15-19,27H2,1-2H3
Affinity DataKi:  0.110nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50073001(CHEMBL3410827)
Show SMILES CCCCCOc1ccc2C(=O)N(CCc3ccc(N)cc3)Cc2c1OCCCCC
Show InChI InChI=1S/C26H36N2O3/c1-3-5-7-17-30-24-14-13-22-23(25(24)31-18-8-6-4-2)19-28(26(22)29)16-15-20-9-11-21(27)12-10-20/h9-14H,3-8,15-19,27H2,1-2H3
Affinity DataKi:  0.110nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
The University of Texas

Curated by ChEMBL
LigandPNGBDBM50029978(CHEMBL3353441)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)/t14-,19+
Affinity DataKi:  0.120nMAssay Description:HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...More data for this Ligand-Target Pair
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