Compile Data Set for Download or QSAR
Found 1804 of ki for UniProtKB: P20272
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50000727((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50061108(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
Affinity DataKi:  0.100nMAssay Description:Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.100nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50067497((2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hy...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1
Show InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1
Affinity DataKi:  0.110nMAssay Description:Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranesMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50067497((2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hy...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1
Show InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1
Affinity DataKi:  0.110nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM21281((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
Affinity DataKi:  0.140nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50328671((6aR,9R,10aR)-3-(1-hexylcyclobutyl)-6,6-dimethyl-6...)
Show SMILES CCCCCCC1(CCC1)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,18-20,26-27H,4-13,16H2,1-3H3/t18-,19-,20-/m1/s1
Affinity DataKi:  0.160nMAssay Description:Displacement of [3H]CP55940 from rat brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50000727((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
Affinity DataKi:  0.190nMAssay Description:Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50067499((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
Affinity DataKi:  0.230nMAssay Description:Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranesMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50061111((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
Affinity DataKi:  0.241nMAssay Description:Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50463775(CHEMBL4240671)
Show SMILES C\C(=N/OCCCC(F)(F)F)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from rat brain Cb1 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233599(CHEMBL3104360)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233619(CHEMBL4085404 | US10882838, Example 1.18)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCC1)C(=O)OCCCCBr
Show InChI InChI=1S/C25H33BrO4/c1-16-7-8-19-18(13-16)22-20(27)14-17(15-21(22)30-24(19,2)3)25(9-6-10-25)23(28)29-12-5-4-11-26/h7,14-15,18-19,27H,4-6,8-13H2,1-3H3/t18-,19-/m1/s1
Affinity DataKi:  0.300nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

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:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from rat brain Cb1 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233619(CHEMBL4085404 | US10882838, Example 1.18)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCC1)C(=O)OCCCCBr
Show InChI InChI=1S/C25H33BrO4/c1-16-7-8-19-18(13-16)22-20(27)14-17(15-21(22)30-24(19,2)3)25(9-6-10-25)23(28)29-12-5-4-11-26/h7,14-15,18-19,27H,4-6,8-13H2,1-3H3/t18-,19-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233599(CHEMBL3104360)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM21278(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
Affinity DataKi:  0.310nMAssay Description:Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS bindingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50063885((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
Affinity DataKi:  0.320nMAssay Description:The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1) in rat brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50063885((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
Affinity DataKi:  0.320nMAssay Description:Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50063885((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)
Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
Affinity DataKi:  0.320nMAssay Description:Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55,940 from purified rat forbrain synaptosomesMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50260806(CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)
Affinity DataKi:  0.410nMAssay Description:Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS bindingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50080030((6aR,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-10,12-13H2,1-4H3/t18-,19-/m1/s1
Affinity DataKi:  0.430nMAssay Description:Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes.More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50063884((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
Affinity DataKi:  0.440nMAssay Description:Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55,940 from purified rat forbrain synaptosomesMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50130623((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
Affinity DataKi:  0.450nMAssay Description:Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50414058(CHEMBL549603 | JWH-210)
Show SMILES CCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H27NO/c1-3-5-10-17-27-18-24(22-13-8-9-14-25(22)27)26(28)23-16-15-19(4-2)20-11-6-7-12-21(20)23/h6-9,11-16,18H,3-5,10,17H2,1-2H3
Affinity DataKi:  0.460nMAssay Description:Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assayMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50071414((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-6,6,9-t...)
Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h11,14-15,17-18,20-21,26H,7-10,12-13H2,1-6H3/t17-,18+,20-,21-/m1/s1
Affinity DataKi:  0.460nMAssay Description:Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50219076((6aR-trans)-3-(1-heptylcyclopropyl)-6a,7,10,10a-te...)
Show SMILES CCCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H38O2/c1-5-6-7-8-9-12-26(13-14-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1
Affinity DataKi:  0.480nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosomal membraneMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50071413((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-9-hydro...)
Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-16(2)17(3)19-13-22(27)24-20-12-18(15-26)10-11-21(20)25(4,5)28-23(24)14-19/h10,13-14,16-17,20-21,26-27H,6-9,11-12,15H2,1-5H3/t16-,17+,20-,21-/m1/s1
Affinity DataKi:  0.490nMAssay Description:Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233602(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCC#N
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50463785(CHEMBL4238778)
Show SMILES CCCC(C)O\N=C(\C)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from rat brain Cb1 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233613(CHEMBL4092136 | US10882838, Example 1.33)
Show SMILES CCCCC(=O)OCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233613(CHEMBL4092136 | US10882838, Example 1.33)
Show SMILES CCCCC(=O)OCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233606(CHEMBL4068675)
Show SMILES CCCSC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM474558(US10882838, Example 1.30)
Show SMILES CCCSC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24-25,27H,7,9-11H2,1-6H3/p-1/t16-,17-/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50233602(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCC#N
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50130624((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
Affinity DataKi:  0.520nMAssay Description:Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50171290(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
Affinity DataKi:  0.560nMMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM21244(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
Affinity DataKi:  0.580nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50072775(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
Affinity DataKi:  0.580nMAssay Description:Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membraneMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50532780(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O5/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/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM474532(US10882838, Example 1.4)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18+/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50532780(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O5/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/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50532780(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O5/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/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50495106(CHEMBL3104358 | US10882838, Example 1.16)
Show SMILES CCCCOC(=O)[C@@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O4/c1-6-7-10-26-22(25)15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)23(4,5)27-20(21)13-16/h8,12-13,15,17-18,24H,6-7,9-11H2,1-5H3/t15-,17+,18+/m0/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM21279(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
Affinity DataKi:  0.600nMAssay Description:Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50063882((6aR,10aR)-3-(hept-1-ynyl)-6,6,9-trimethyl-6a,7,10...)
Show SMILES CCCCCC#Cc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-8,12-13H2,1-4H3/t18-,19-/m1/s1
Affinity DataKi:  0.650nMAssay Description:The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1) in rat brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM50063882((6aR,10aR)-3-(hept-1-ynyl)-6,6,9-trimethyl-6a,7,10...)
Show SMILES CCCCCC#Cc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-8,12-13H2,1-4H3/t18-,19-/m1/s1
Affinity DataKi:  0.650nMAssay Description:Displacement of [3H]CP-55,940 from rat brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM21278(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
Affinity DataKi:  0.650nM ΔG°:  -12.7kcal/molepH: 7.4 T: 2°CAssay Description:IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...More data for this Ligand-Target Pair
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