Compile Data Set for Download or QSAR
Found 14731 Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1'
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50176988(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
Affinity DataKi:  0.000350nMAssay Description:Binding affinity to CB1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176988(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
Affinity DataKi:  0.000350nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176988(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
Affinity DataKi:  0.000350nMAssay Description:Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176980(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
Affinity DataKi:  0.00100nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176989(8-chloro-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-6-8-17-14(12-15)4-3-5-18-21(23(31)28-29-10-1-2-11-29)27-30(22(17)18)20-9-7-16(25)13-19(20)26/h6-9,12-13H,1-5,10-11H2,(H,28,31)
Affinity DataKi:  0.00400nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176979(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32)
Affinity DataKi:  0.00520nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176986(8-bromo-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Br)ccc3-c12
Show InChI InChI=1S/C24H23BrCl2N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
Affinity DataKi:  0.00800nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243536(CHEMBL4062749)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22+/m1/s1
Affinity DataKi:  0.0100nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176990(8-chloro-1-(2',4'-dichlorophenyl)-N-p-methoxylphen...)
Show SMILES COc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O2/c1-34-19-9-7-18(8-10-19)30-26(33)24-21-4-2-3-15-13-16(27)5-11-20(15)25(21)32(31-24)23-12-6-17(28)14-22(23)29/h5-14H,2-4H2,1H3,(H,30,33)
Affinity DataKi:  0.0130nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243536(CHEMBL4062749)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22+/m1/s1
Affinity DataKi:  0.0270nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388901(CHEMBL2063237)
Show SMILES CC(C)C(=O)N[C@@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m1/s1
Affinity DataKi:  0.0300nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388885(CHEMBL2063238)
Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1
Affinity DataKi:  0.0400nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388902(CHEMBL2063239)
Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCCCC3)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c27-19-14-12-17(13-15-19)24-25-23(30-31(24)22-11-5-4-9-20(22)28)21(10-6-16-33-25)29-26(32)18-7-2-1-3-8-18/h4-5,9,11-15,18,21H,1-3,6-8,10,16H2,(H,29,32)
Affinity DataKi:  0.0500nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

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:  0.0600nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243589(CHEMBL4095223)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCC(F)(F)F)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H27Cl2F3N4O4S/c1-17-23(25(36)33-34-13-3-2-4-14-34)32-24(21-11-6-18(27)16-22(21)28)35(17)19-7-9-20(10-8-19)39-40(37,38)15-5-12-26(29,30)31/h6-11,16H,2-5,12-15H2,1H3,(H,33,36)
Affinity DataKi:  0.0620nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388887(CHEMBL2063240)
Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCOCC3)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O3/c26-18-9-7-16(8-10-18)23-24-22(29-30(23)21-6-2-1-4-19(21)27)20(5-3-13-33-24)28-25(31)17-11-14-32-15-12-17/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,28,31)
Affinity DataKi:  0.0700nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388896(CHEMBL2063249)
Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3cnon3)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2N5O3/c23-14-9-7-13(8-10-14)20-21-19(27-29(20)18-6-2-1-4-15(18)24)16(5-3-11-31-21)26-22(30)17-12-25-32-28-17/h1-2,4,6-10,12,16H,3,5,11H2,(H,26,30)
Affinity DataKi:  0.0800nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388893(CHEMBL2063246)
Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3(CC3)C#N)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C24H20Cl2N4O2/c25-16-9-7-15(8-10-16)21-22-20(29-30(21)19-6-2-1-4-17(19)26)18(5-3-13-32-22)28-23(31)24(14-27)11-12-24/h1-2,4,6-10,18H,3,5,11-13H2,(H,28,31)
Affinity DataKi:  0.0800nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388887(CHEMBL2063240)
Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCOCC3)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O3/c26-18-9-7-16(8-10-18)23-24-22(29-30(23)21-6-2-1-4-19(21)27)20(5-3-13-33-24)28-25(31)17-11-14-32-15-12-17/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,28,31)
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

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 affinity was determined for Cannabinoid receptor 1More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50516776(CHEMBL4437741)
Show SMILES CCCCCn1c2ccccc2s\c1=N\C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H30N2OS/c1-2-3-6-9-25-19-7-4-5-8-20(19)27-22(25)24-21(26)23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3/b24-22+
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50301739(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assayMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50301747(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C28H24Cl2N4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assayMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50176411(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-15-16(18(29)27(10-25-15)9-19(22,23)24)26-28(17)14-4-2-1-3-13(14)21/h1-8,10H,9H2
Affinity DataKi:  0.100nMAssay Description:Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assayMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50176407(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
Affinity DataKi:  0.100nMAssay Description:Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assayMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243608(CHEMBL4100882)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-17-3-2-4-19(35)14-17)33-24(21-10-5-16(27)13-22(21)28)34(15)18-6-8-20(9-7-18)39-40(37,38)12-11-26(29,30)31/h5-10,13,17,19,35H,2-4,11-12,14H2,1H3,(H,32,36)/t17-,19-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243545(CHEMBL4078689)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCF)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27Cl2FN4O2/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)34-15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33)
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243589(CHEMBL4095223)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCC(F)(F)F)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H27Cl2F3N4O4S/c1-17-23(25(36)33-34-13-3-2-4-14-34)32-24(21-11-6-18(27)16-22(21)28)35(17)19-7-9-20(10-8-19)39-40(37,38)15-5-12-26(29,30)31/h6-11,16H,2-5,12-15H2,1H3,(H,33,36)
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243608(CHEMBL4100882)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-17-3-2-4-19(35)14-17)33-24(21-10-5-16(27)13-22(21)28)34(15)18-6-8-20(9-7-18)39-40(37,38)12-11-26(29,30)31/h5-10,13,17,19,35H,2-4,11-12,14H2,1H3,(H,32,36)/t17-,19-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243625(CHEMBL4094098)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(F)nc1
Show InChI InChI=1S/C25H18Cl2F4N4O4S/c1-14-22(24(36)33-16-3-9-21(28)32-13-16)34-23(19-8-2-15(26)12-20(19)27)35(14)17-4-6-18(7-5-17)39-40(37,38)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,33,36)
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...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
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
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
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176987(8-methyl-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C24H24Cl2N4O/c1-15-7-9-18-16(13-15)5-4-6-19-22(24(31)28-29-11-2-3-12-29)27-30(23(18)19)21-10-8-17(25)14-20(21)26/h7-10,13-14H,2-6,11-12H2,1H3,(H,28,31)
Affinity DataKi:  0.110nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50516789(CHEMBL4559193)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N2OS/c1-2-3-8-16-25-20-14-6-7-15-21(20)27-23(25)24-22(26)19-13-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3/b24-23-
Affinity DataKi:  0.110nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388892(CHEMBL2063245)
Show SMILES CCNC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H22Cl2N4O2/c1-2-25-22(29)26-17-7-5-13-30-21-19(17)27-28(18-8-4-3-6-16(18)24)20(21)14-9-11-15(23)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H2,25,26,29)
Affinity DataKi:  0.110nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243645(CHEMBL4087520)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H25Cl2F3N4O4S/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)38-39(36,37)14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35)
Affinity DataKi:  0.110nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388900(CHEMBL2063235)
Show SMILES CCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H21Cl2N3O2/c1-2-19(28)25-17-7-5-13-29-22-20(17)26-27(18-8-4-3-6-16(18)24)21(22)14-9-11-15(23)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H,25,28)
Affinity DataKi:  0.110nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50347380(CHEMBL1801350)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Br)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12
Show InChI InChI=1S/C25H20BrClFN5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(26)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(27)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
Affinity DataKi:  0.120nMAssay Description:Displacement of radioligand from human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388892(CHEMBL2063245)
Show SMILES CCNC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H22Cl2N4O2/c1-2-25-22(29)26-17-7-5-13-30-21-19(17)27-28(18-8-4-3-6-16(18)24)20(21)14-9-11-15(23)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H2,25,26,29)
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50388891(CHEMBL2063244)
Show SMILES CC(C)OC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O3/c1-14(2)31-23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)
Affinity DataKi:  0.120nMAssay Description:Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243626(CHEMBL4089821)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C26H21Cl2F3N4O4S/c1-15-3-10-22(32-14-15)33-25(36)23-16(2)35(24(34-23)20-9-4-17(27)13-21(20)28)18-5-7-19(8-6-18)39-40(37,38)12-11-26(29,30)31/h3-10,13-14H,11-12H2,1-2H3,(H,32,33,36)
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243588(CHEMBL4067800)
Show SMILES CCCCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H30Cl2N4O4S/c1-3-4-16-37(34,35)36-21-11-9-20(10-12-21)32-18(2)24(26(33)30-31-14-6-5-7-15-31)29-25(32)22-13-8-19(27)17-23(22)28/h8-13,17H,3-7,14-16H2,1-2H3,(H,30,33)
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243627(CHEMBL4068708)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-21-9-2-15(13-35-21)26(32,33)34)37-23(19-8-3-16(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,35,36,39)
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243645(CHEMBL4087520)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H25Cl2F3N4O4S/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)38-39(36,37)14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35)
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50243625(CHEMBL4094098)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(F)nc1
Show InChI InChI=1S/C25H18Cl2F4N4O4S/c1-14-22(24(36)33-16-3-9-21(28)32-13-16)34-23(19-8-2-15(26)12-20(19)27)35(14)17-4-6-18(7-5-17)39-40(37,38)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,33,36)
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...More data for this Ligand-Target Pair
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