Compile Data Set for Download or QSAR
Found 73 Enz. Inhib. hit(s) with all data for entry = 50002941
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465034(CHEMBL4294558)
Show SMILES CCCOc1cccc2c(cn(CC3CCOCC3)c12)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H29NO4/c1-3-13-30-23-6-4-5-21-22(25(27)19-7-9-20(28-2)10-8-19)17-26(24(21)23)16-18-11-14-29-15-12-18/h4-10,17-18H,3,11-16H2,1-2H3
Affinity DataKi:  5.70nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](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+/m1/s1
Affinity DataKi:  13nMAssay Description:Displacement of [3H]CP55,940 from human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](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+/m1/s1
Affinity DataKi:  13nMAssay Description:Displacement of [3H]CP55,940 from human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50160434((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
Affinity DataKi:  31nMAssay Description:Inverse agonist activity at human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](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+/m1/s1
Affinity DataKi:  51nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465025(CHEMBL4282604)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(O)cccc12
Show InChI InChI=1S/C22H23NO4/c1-26-17-7-5-16(6-8-17)22(25)19-14-23(13-15-9-11-27-12-10-15)21-18(19)3-2-4-20(21)24/h2-8,14-15,24H,9-13H2,1H3
Affinity DataKi:  54nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465024(CHEMBL4284943)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2ccc(O)cc12
Show InChI InChI=1S/C22H23NO4/c1-26-18-5-2-16(3-6-18)22(25)20-14-23(13-15-8-10-27-11-9-15)21-7-4-17(24)12-19(20)21/h2-7,12,14-15,24H,8-11,13H2,1H3
Affinity DataKi:  120nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50032568(CHEMBL78627 | [5-Hydroxy-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H24N2O3/c28-19-8-9-24-22(16-19)23(17-27(24)11-10-26-12-14-30-15-13-26)25(29)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16-17,28H,10-15H2
Affinity DataKi:  169nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465029(CHEMBL4283967)
Show SMILES COC(=O)CCCCOc1cccc2c(cn(CC3CCOCC3)c12)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H33NO6/c1-32-22-11-9-21(10-12-22)28(31)24-19-29(18-20-13-16-34-17-14-20)27-23(24)6-5-7-25(27)35-15-4-3-8-26(30)33-2/h5-7,9-12,19-20H,3-4,8,13-18H2,1-2H3
Affinity DataKi:  201nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465047(CHEMBL4293194)
Show SMILES Oc1ccc2n(CC3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H23NO3/c27-19-8-9-24-22(14-19)23(16-26(24)15-17-10-12-29-13-11-17)25(28)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,14,16-17,27H,10-13,15H2
Affinity DataKi:  275nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465034(CHEMBL4294558)
Show SMILES CCCOc1cccc2c(cn(CC3CCOCC3)c12)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H29NO4/c1-3-13-30-23-6-4-5-21-22(25(27)19-7-9-20(28-2)10-8-19)17-26(24(21)23)16-18-11-14-29-15-12-18/h4-10,17-18H,3,11-16H2,1-2H3
Affinity DataKi:  505nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465028(CHEMBL4279405)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C24H25NO6/c1-29-18-7-5-17(6-8-18)24(28)20-14-25(13-16-9-11-30-12-10-16)23-19(20)3-2-4-21(23)31-15-22(26)27/h2-8,14,16H,9-13,15H2,1H3,(H,26,27)
Affinity DataKi:  582nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465033(CHEMBL4277575)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(O)cc12
Show InChI InChI=1S/C22H24N2O4/c1-27-18-5-2-16(3-6-18)22(26)20-15-24(9-8-23-10-12-28-13-11-23)21-7-4-17(25)14-19(20)21/h2-7,14-15,25H,8-13H2,1H3
Affinity DataKi:  747nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465047(CHEMBL4293194)
Show SMILES Oc1ccc2n(CC3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H23NO3/c27-19-8-9-24-22(14-19)23(16-26(24)15-17-10-12-29-13-11-17)25(28)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,14,16-17,27H,10-13,15H2
Affinity DataKi:  824nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465021(CHEMBL4292807)
Show SMILES Oc1ccc2n(CCN3CCOCC3)cc(C(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C21H28N2O3/c24-17-6-7-20-18(14-17)19(21(25)16-4-2-1-3-5-16)15-23(20)9-8-22-10-12-26-13-11-22/h6-7,14-16,24H,1-5,8-13H2
Affinity DataKi:  895nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465023(CHEMBL4291156)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCCCCC(O)=O)cccc12
Show InChI InChI=1S/C27H31NO6/c1-32-21-10-8-20(9-11-21)27(31)23-18-28(17-19-12-15-33-16-13-19)26-22(23)5-4-6-24(26)34-14-3-2-7-25(29)30/h4-6,8-11,18-19H,2-3,7,12-17H2,1H3,(H,29,30)
Affinity DataKi:  1.31E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465049(CHEMBL4287330)
Show SMILES CCCOc1ccc2n(CC3CCOCC3)cc(C(=O)c3ccc(OC)cc3)c2c1
Show InChI InChI=1S/C25H29NO4/c1-3-12-30-21-8-9-24-22(15-21)23(17-26(24)16-18-10-13-29-14-11-18)25(27)19-4-6-20(28-2)7-5-19/h4-9,15,17-18H,3,10-14,16H2,1-2H3
Affinity DataKi:  1.35E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465024(CHEMBL4284943)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2ccc(O)cc12
Show InChI InChI=1S/C22H23NO4/c1-26-18-5-2-16(3-6-18)22(25)20-14-23(13-15-8-10-27-11-9-15)21-7-4-17(24)12-19(20)21/h2-7,12,14-15,24H,8-11,13H2,1H3
Affinity DataKi:  1.41E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465029(CHEMBL4283967)
Show SMILES COC(=O)CCCCOc1cccc2c(cn(CC3CCOCC3)c12)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H33NO6/c1-32-22-11-9-21(10-12-22)28(31)24-19-29(18-20-13-16-34-17-14-20)27-23(24)6-5-7-25(27)35-15-4-3-8-26(30)33-2/h5-7,9-12,19-20H,3-4,8,13-18H2,1-2H3
Affinity DataKi:  1.58E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465027(CHEMBL4295181)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H25NO6/c1-29-18-4-2-17(3-5-18)24(28)21-14-25(13-16-8-10-30-11-9-16)22-7-6-19(12-20(21)22)31-15-23(26)27/h2-7,12,14,16H,8-11,13,15H2,1H3,(H,26,27)
Affinity DataKi:  1.66E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](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+/m1/s1
Affinity DataKi:  1.70E+3nMAssay Description:Displacement of [3H]CP55,940 from human CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](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+/m1/s1
Affinity DataKi:  1.70E+3nMAssay Description:Displacement of [3H]CP55,940 from human CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465030(CHEMBL4294653)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCCCCCCNC(C)=O)cccc12
Show InChI InChI=1S/C30H38N2O5/c1-22(33)31-16-5-3-4-6-17-37-28-9-7-8-26-27(30(34)24-10-12-25(35-2)13-11-24)21-32(29(26)28)20-23-14-18-36-19-15-23/h7-13,21,23H,3-6,14-20H2,1-2H3,(H,31,33)
Affinity DataKi:  1.97E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50032568(CHEMBL78627 | [5-Hydroxy-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H24N2O3/c28-19-8-9-24-22(16-19)23(17-27(24)11-10-26-12-14-30-15-13-26)25(29)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16-17,28H,10-15H2
Affinity DataKi:  2.84E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465025(CHEMBL4282604)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(O)cccc12
Show InChI InChI=1S/C22H23NO4/c1-26-17-7-5-16(6-8-17)22(25)19-14-23(13-15-9-11-27-12-10-15)21-18(19)3-2-4-20(21)24/h2-8,14-15,24H,9-13H2,1H3
Affinity DataKi:  3.58E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465030(CHEMBL4294653)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCCCCCCNC(C)=O)cccc12
Show InChI InChI=1S/C30H38N2O5/c1-22(33)31-16-5-3-4-6-17-37-28-9-7-8-26-27(30(34)24-10-12-25(35-2)13-11-24)21-32(29(26)28)20-23-14-18-36-19-15-23/h7-13,21,23H,3-6,14-20H2,1-2H3,(H,31,33)
Affinity DataKi:  3.92E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465049(CHEMBL4287330)
Show SMILES CCCOc1ccc2n(CC3CCOCC3)cc(C(=O)c3ccc(OC)cc3)c2c1
Show InChI InChI=1S/C25H29NO4/c1-3-12-30-21-8-9-24-22(15-21)23(17-26(24)16-18-10-13-29-14-11-18)25(27)19-4-6-20(28-2)7-5-19/h4-9,15,17-18H,3,10-14,16H2,1-2H3
Affinity DataKi:  4.53E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50160434((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
Affinity DataKi:  5.15E+3nMAssay Description:Inverse agonist activity at human CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](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+/m1/s1
Affinity DataKi:  5.63E+3nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465022(CHEMBL4287751)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCC(=O)NCCOCCOCCN)cc12
Show InChI InChI=1S/C30H40N4O7/c1-37-24-4-2-23(3-5-24)30(36)27-21-34(11-10-33-12-16-40-17-13-33)28-7-6-25(20-26(27)28)41-22-29(35)32-9-15-39-19-18-38-14-8-31/h2-7,20-21H,8-19,22,31H2,1H3,(H,32,35)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465023(CHEMBL4291156)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCCCCC(O)=O)cccc12
Show InChI InChI=1S/C27H31NO6/c1-32-21-10-8-20(9-11-21)27(31)23-18-28(17-19-12-15-33-16-13-19)26-22(23)5-4-6-24(26)34-14-3-2-7-25(29)30/h4-6,8-11,18-19H,2-3,7,12-17H2,1H3,(H,29,30)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465026(CHEMBL4284521)
Show SMILES OC(=O)COc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C27H26N2O5/c30-26(31)18-34-20-8-9-25-23(16-20)24(17-29(25)11-10-28-12-14-33-15-13-28)27(32)22-7-3-5-19-4-1-2-6-21(19)22/h1-9,16-17H,10-15,18H2,(H,30,31)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465027(CHEMBL4295181)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H25NO6/c1-29-18-4-2-17(3-5-18)24(28)21-14-25(13-16-8-10-30-11-9-16)22-7-6-19(12-20(21)22)31-15-23(26)27/h2-7,12,14,16H,8-11,13,15H2,1H3,(H,26,27)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465028(CHEMBL4279405)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C24H25NO6/c1-29-18-7-5-17(6-8-18)24(28)20-14-25(13-16-9-11-30-12-10-16)23-19(20)3-2-4-21(23)31-15-22(26)27/h2-8,14,16H,9-13,15H2,1H3,(H,26,27)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465031(CHEMBL4291317)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCCCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)cc12
Show InChI InChI=1S/C62H72BF2N7O10S/c1-77-51-22-14-47(15-23-51)62(76)55-44-70(31-30-69-32-37-80-38-33-69)56-26-24-53(43-54(55)56)81-34-6-4-10-60(74)68-29-36-79-40-39-78-35-28-67-59(73)9-3-2-5-27-66-61(75)45-82-52-20-12-46(13-21-52)11-16-48-17-18-49-42-50-19-25-57(58-8-7-41-83-58)72(50)63(64,65)71(48)49/h7-8,11-26,41-44H,2-6,9-10,27-40,45H2,1H3,(H,66,75)(H,67,73)(H,68,74)/b16-11+
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465032(CHEMBL4277272)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCCCCCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)cc12
Show InChI InChI=1S/C64H76BF2N7O10S/c1-79-53-24-16-49(17-25-53)64(78)57-46-72(33-32-71-34-39-82-40-35-71)58-28-26-55(45-56(57)58)83-36-8-3-2-5-11-61(75)69-30-37-80-41-42-81-38-31-70-62(76)12-6-4-7-29-68-63(77)47-84-54-22-14-48(15-23-54)13-18-50-19-20-51-44-52-21-27-59(60-10-9-43-85-60)74(52)65(66,67)73(50)51/h9-10,13-28,43-46H,2-8,11-12,29-42,47H2,1H3,(H,68,77)(H,69,75)(H,70,76)/b18-13+
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465035(CHEMBL4282977)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCCCCC(=O)NCCOCCOCCNC(C)=O)cccc12
Show InChI InChI=1S/C35H47N3O8/c1-26(39)36-15-20-44-22-23-45-21-16-37-33(40)8-3-4-17-46-32-7-5-6-30-31(35(41)28-9-11-29(42-2)12-10-28)25-38(34(30)32)24-27-13-18-43-19-14-27/h5-7,9-12,25,27H,3-4,8,13-24H2,1-2H3,(H,36,39)(H,37,40)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465033(CHEMBL4277575)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(O)cc12
Show InChI InChI=1S/C22H24N2O4/c1-27-18-5-2-16(3-6-18)22(26)20-15-24(9-8-23-10-12-28-13-11-23)21-7-4-17(25)14-19(20)21/h2-7,14-15,25H,8-13H2,1H3
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465036(CHEMBL4278061)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H26N2O6/c1-30-18-4-2-17(3-5-18)24(29)21-15-26(9-8-25-10-12-31-13-11-25)22-7-6-19(14-20(21)22)32-16-23(27)28/h2-7,14-15H,8-13,16H2,1H3,(H,27,28)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465037(CHEMBL4289402)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2cc(O)ccc12
Show InChI InChI=1S/C22H24N2O4/c1-27-18-5-2-16(3-6-18)22(26)20-15-24(9-8-23-10-12-28-13-11-23)21-14-17(25)4-7-19(20)21/h2-7,14-15,25H,8-13H2,1H3
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465038(CHEMBL4285985)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOC2)c2ccc(O)cc12
Show InChI InChI=1S/C21H21NO4/c1-25-17-5-2-15(3-6-17)21(24)19-12-22(11-14-8-9-26-13-14)20-7-4-16(23)10-18(19)20/h2-7,10,12,14,23H,8-9,11,13H2,1H3
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465036(CHEMBL4278061)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H26N2O6/c1-30-18-4-2-17(3-5-18)24(29)21-15-26(9-8-25-10-12-31-13-11-25)22-7-6-19(14-20(21)22)32-16-23(27)28/h2-7,14-15H,8-13,16H2,1H3,(H,27,28)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465039(CHEMBL4280525)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCC(=O)NCCCCCCCCN)cc12
Show InChI InChI=1S/C32H44N4O5/c1-39-26-10-8-25(9-11-26)32(38)29-23-36(17-16-35-18-20-40-21-19-35)30-13-12-27(22-28(29)30)41-24-31(37)34-15-7-5-3-2-4-6-14-33/h8-13,22-23H,2-7,14-21,24,33H2,1H3,(H,34,37)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465040(CHEMBL4277100)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCC(=O)NCCOCCOCCNC(C)=O)cc12
Show InChI InChI=1S/C32H42N4O8/c1-24(37)33-9-15-41-19-20-42-16-10-34-31(38)23-44-27-7-8-30-28(21-27)29(32(39)25-3-5-26(40-2)6-4-25)22-36(30)12-11-35-13-17-43-18-14-35/h3-8,21-22H,9-20,23H2,1-2H3,(H,33,37)(H,34,38)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465041(CHEMBL4282454)
Show SMILES NCCOCCOCCNC(=O)COc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C33H40N4O6/c34-10-16-40-20-21-41-17-11-35-32(38)24-43-26-8-9-31-29(22-26)30(23-37(31)13-12-36-14-18-42-19-15-36)33(39)28-7-3-5-25-4-1-2-6-27(25)28/h1-9,22-23H,10-21,24,34H2,(H,35,38)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465042(CHEMBL4293565)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2ccc(OCCOCCOCCOCCNC(C)=O)cc12
Show InChI InChI=1S/C32H42N2O8/c1-24(35)33-11-14-39-15-16-40-17-18-41-19-20-42-28-7-8-31-29(21-28)30(23-34(31)22-25-9-12-38-13-10-25)32(36)26-3-5-27(37-2)6-4-26/h3-8,21,23,25H,9-20,22H2,1-2H3,(H,33,35)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465043(CHEMBL4278012)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)cc12
Show InChI InChI=1S/C59H66BF2N7O10S/c1-74-48-19-11-44(12-20-48)59(73)52-40-67(28-27-66-29-33-77-34-30-66)53-23-21-50(39-51(52)53)79-42-58(72)65-26-32-76-36-35-75-31-25-64-56(70)7-3-2-4-24-63-57(71)41-78-49-17-9-43(10-18-49)8-13-45-14-15-46-38-47-16-22-54(55-6-5-37-80-55)69(47)60(61,62)68(45)46/h5-6,8-23,37-40H,2-4,7,24-36,41-42H2,1H3,(H,63,71)(H,64,70)(H,65,72)/b13-8+
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465044(CHEMBL4284520)
Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)NCCOCCOCCNC(=O)COc4ccc5n(CCN6CCOCC6)cc(C(=O)c6cccc7ccccc67)c5c4)cc3)=[N+]12
Show InChI InChI=1S/C62H66BF2N7O9S/c64-63(65)71-47(18-19-48(71)40-49-20-24-57(72(49)63)58-12-7-39-82-58)17-14-45-15-21-50(22-16-45)80-43-60(74)66-26-5-1-2-13-59(73)67-27-33-77-37-38-78-34-28-68-61(75)44-81-51-23-25-56-54(41-51)55(42-70(56)30-29-69-31-35-79-36-32-69)62(76)53-11-6-9-46-8-3-4-10-52(46)53/h3-4,6-12,14-25,39-42H,1-2,5,13,26-38,43-44H2,(H,66,74)(H,67,73)(H,68,75)/b17-14+
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465031(CHEMBL4291317)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCCCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)cc12
Show InChI InChI=1S/C62H72BF2N7O10S/c1-77-51-22-14-47(15-23-51)62(76)55-44-70(31-30-69-32-37-80-38-33-69)56-26-24-53(43-54(55)56)81-34-6-4-10-60(74)68-29-36-79-40-39-78-35-28-67-59(73)9-3-2-5-27-66-61(75)45-82-52-20-12-46(13-21-52)11-16-48-17-18-49-42-50-19-25-57(58-8-7-41-83-58)72(50)63(64,65)71(48)49/h7-8,11-26,41-44H,2-6,9-10,27-40,45H2,1H3,(H,66,75)(H,67,73)(H,68,74)/b16-11+
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50465032(CHEMBL4277272)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccc(OCCCCCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)cc12
Show InChI InChI=1S/C64H76BF2N7O10S/c1-79-53-24-16-49(17-25-53)64(78)57-46-72(33-32-71-34-39-82-40-35-71)58-28-26-55(45-56(57)58)83-36-8-3-2-5-11-61(75)69-30-37-80-41-42-81-38-31-70-62(76)12-6-4-7-29-68-63(77)47-84-54-22-14-48(15-23-54)13-18-50-19-20-51-44-52-21-27-59(60-10-9-43-85-60)74(52)65(66,67)73(50)51/h9-10,13-28,43-46H,2-8,11-12,29-42,47H2,1H3,(H,68,77)(H,69,75)(H,70,76)/b18-13+
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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