Compile Data Set for Download or QSAR
Found 292 with Last Name = 'ruiu' and Initial = 's'
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
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(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 2(Homo sapiens (Human))
Universit£ di Sassari

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

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

Curated by ChEMBL
LigandPNGBDBM50493712(CHEMBL2436046)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(OC)c1
Show InChI InChI=1S/C30H39N3O2/c1-5-19-32-25-15-16-26(32)28-18-17-27(25)33(28)29(23-9-8-10-24(20-23)35-4)21-11-13-22(14-12-21)30(34)31(6-2)7-3/h5,8-14,20,25-29H,1,6-7,15-19H2,2-4H3
Affinity DataKi:  0.203nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493715(CHEMBL2436052)
Show SMILES Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C29H35N3O2/c1-2-16-31-24-12-13-25(31)27-15-14-26(24)32(27)28(22-6-5-7-23(33)19-22)20-8-10-21(11-9-20)29(34)30-17-3-4-18-30/h2,5-11,19,24-28,33H,1,3-4,12-18H2
Affinity DataKi:  0.208nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493711(CHEMBL2436050)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(O)c1
Show InChI InChI=1S/C29H37N3O2/c1-4-18-31-24-14-15-25(31)27-17-16-26(24)32(27)28(22-8-7-9-23(33)19-22)20-10-12-21(13-11-20)29(34)30(5-2)6-3/h4,7-13,19,24-28,33H,1,5-6,14-18H2,2-3H3
Affinity DataKi:  0.230nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493714(CHEMBL2436056)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC3C1CCC2N3CC=C)c1cccc(O)c1
Show InChI InChI=1S/C29H37N3O2/c1-4-18-31-24-14-16-26-25(31)15-17-27(24)32(26)28(22-8-7-9-23(33)19-22)20-10-12-21(13-11-20)29(34)30(5-2)6-3/h4,7-13,19,24-28,33H,1,5-6,14-18H2,2-3H3
Affinity DataKi:  0.267nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50180022(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]-CP-55940 from cannabinoid CB2 receptor in CD1 mouse spleen membranes after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50180022(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]-CP-55,940 from CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50180022(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176976(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50176977(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50114372(CHEMBL3604279)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1CN(CC=C)C2)c1cccc(OC)c1
Show InChI InChI=1S/C28H37N3O2/c1-5-17-29-19-24-15-16-25(20-29)31(24)27(23-9-8-10-26(18-23)33-4)21-11-13-22(14-12-21)28(32)30(6-2)7-3/h5,8-14,18,24-25,27H,1,6-7,15-17,19-20H2,2-4H3
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50176977(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleenMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ 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:  0.460nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleenMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493709(CHEMBL2434980)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC3C1CCC2N3CC=C)c1cccc(OC)c1
Show InChI InChI=1S/C30H39N3O2/c1-5-19-32-25-15-17-27-26(32)16-18-28(25)33(27)29(23-9-8-10-24(20-23)35-4)21-11-13-22(14-12-21)30(34)31(6-2)7-3/h5,8-14,20,25-29H,1,6-7,15-19H2,2-4H3
Affinity DataKi:  0.633nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50176976(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
Affinity DataKi:  0.650nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleenMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493713(CHEMBL2436057)
Show SMILES COc1cccc(c1)C(N1C2CCC3C1CCC2N3CC=C)c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C30H37N3O2/c1-3-17-32-25-13-15-27-26(32)14-16-28(25)33(27)29(23-7-6-8-24(20-23)35-2)21-9-11-22(12-10-21)30(34)31-18-4-5-19-31/h3,6-12,20,25-29H,1,4-5,13-19H2,2H3
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50039029((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
Affinity DataKi:  0.710nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493718(CHEMBL2436054)
Show SMILES Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C31H39N3O2/c1-2-19-33-26-15-16-27(33)29-18-17-28(26)34(29)30(23-7-6-10-25(35)20-23)21-11-13-22(14-12-21)31(36)32-24-8-4-3-5-9-24/h2,6-7,10-14,20,24,26-30,35H,1,3-5,8-9,15-19H2,(H,32,36)
Affinity DataKi:  0.833nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493716(CHEMBL2436051)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(O)c1
Show InChI InChI=1S/C27H33N3O2/c1-4-16-29-22-12-13-23(29)25-15-14-24(22)30(25)26(20-6-5-7-21(31)17-20)18-8-10-19(11-9-18)27(32)28(2)3/h4-11,17,22-26,31H,1,12-16H2,2-3H3
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493717(CHEMBL2436047)
Show SMILES COc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C30H37N3O2/c1-3-17-32-25-13-14-26(32)28-16-15-27(25)33(28)29(23-7-6-8-24(20-23)35-2)21-9-11-22(12-10-21)30(34)31-18-4-5-19-31/h3,6-12,20,25-29H,1,4-5,13-19H2,2H3
Affinity DataKi:  1nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493720(CHEMBL2436048)
Show SMILES COc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C31H39N3O2/c1-3-18-33-26-14-15-27(33)29-17-16-28(26)34(29)30(24-8-7-9-25(21-24)36-2)22-10-12-23(13-11-22)31(35)32-19-5-4-6-20-32/h3,7-13,21,26-30H,1,4-6,14-20H2,2H3
Affinity DataKi:  1nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

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:  1.10nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50058435(CHEMBL3331463)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCCC2)s1
Show InChI InChI=1S/C22H22Cl2N4OS/c1-13-10-15-19(30-13)12-16-20(22(29)26-27-8-4-2-3-5-9-27)25-28(21(15)16)18-7-6-14(23)11-17(18)24/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,26,29)
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(MOUSE)
National Research Council

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(MOUSE)
National Research Council

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493710(CHEMBL2436053)
Show SMILES Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H37N3O2/c1-2-17-32-25-13-14-26(32)28-16-15-27(25)33(28)29(23-7-6-8-24(34)20-23)21-9-11-22(12-10-21)30(35)31-18-4-3-5-19-31/h2,6-12,20,25-29,34H,1,3-5,13-19H2
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50176985(8-chloro-1-(2',4'-dichlorophenyl)-N-phenyl-1,4,5,6...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)Nc2ccccc2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H18Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h1-3,6-7,9-14H,4-5,8H2,(H,29,32)
Affinity DataKi:  1.45nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleenMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

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:  1.5nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

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:  1.5nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50114373(CHEMBL3604278)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CC1CN(CC=C)C2)c1cccc(OC)c1
Show InChI InChI=1S/C27H35N3O2/c1-5-15-28-18-23-17-24(19-28)30(23)26(22-9-8-10-25(16-22)32-4)20-11-13-21(14-12-20)27(31)29(6-2)7-3/h5,8-14,16,23-24,26H,1,6-7,15,17-19H2,2-4H3
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

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:  1.80nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50114370(CHEMBL3604281)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCC(C1)N2CC=C)c1cccc(OC)c1
Show InChI InChI=1S/C29H39N3O2/c1-5-18-32-25-15-16-26(32)21-31(19-17-25)28(24-9-8-10-27(20-24)34-4)22-11-13-23(14-12-22)29(33)30(6-2)7-3/h5,8-14,20,25-26,28H,1,6-7,15-19,21H2,2-4H3
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50114371(CHEMBL3604280)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCCC1CN(CC=C)C2)c1cccc(OC)c1
Show InChI InChI=1S/C29H39N3O2/c1-5-18-30-20-25-11-9-12-26(21-30)32(25)28(24-10-8-13-27(19-24)34-4)22-14-16-23(17-15-22)29(33)31(6-2)7-3/h5,8,10,13-17,19,25-26,28H,1,6-7,9,11-12,18,20-21H2,2-4H3
Affinity DataKi:  1.90nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ 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:  2nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleenMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50020597(CHEMBL3290447)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c3ccc(C)cc3oc12
Show InChI InChI=1S/C27H29Cl2N3O2/c1-14(2)18-8-5-15(3)11-21(18)30-27(33)24-26-25(19-9-6-16(4)12-23(19)34-26)32(31-24)22-10-7-17(28)13-20(22)29/h6-7,9-10,12-15,18,21H,5,8,11H2,1-4H3,(H,30,33)/t15-,18+,21-/m1/s1
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50058436(CHEMBL3331464)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)s1
Show InChI InChI=1S/C21H20Cl2N4OS/c1-12-9-14-18(29-12)11-15-19(21(28)25-26-7-3-2-4-8-26)24-27(20(14)15)17-6-5-13(22)10-16(17)23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,25,28)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50058437(CHEMBL3329245)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NC1[C@@]2(C)CCC(C2)C1(C)C
Show InChI InChI=1S/C28H33N3OS/c1-16-6-8-18(9-7-16)14-31-24-20(12-21-22(24)17(2)15-33-21)23(30-31)25(32)29-26-27(3,4)19-10-11-28(26,5)13-19/h6-9,15,19,26H,10-14H2,1-5H3,(H,29,32)/t19?,26?,28-/m0/s1
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50020600(CHEMBL3290450)
Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1C2(C)CCC(C2)C1(C)C
Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-23-21(31-32(22(17)23)19-8-6-16(28)12-18(19)29)24(33)30-25-26(2,3)15-9-10-27(25,4)13-15/h5-8,11-12,15,25H,9-10,13H2,1-4H3,(H,30,33)/t15?,25-,27?/m1/s1
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
C.N.R. Istituto di Farmacologia Traslazionale

Curated by ChEMBL
LigandPNGBDBM50493721(CHEMBL2436045)
Show SMILES Oc1cccc(c1)C(N1C2CCC3C1CCC2N3CC=C)c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H37N3O2/c1-2-17-32-25-13-15-27-26(32)14-16-28(25)33(27)29(23-7-6-8-24(34)20-23)21-9-11-22(12-10-21)30(35)31-18-4-3-5-19-31/h2,6-12,20,25-29,34H,1,3-5,13-19H2
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50176981(8-chloro-1-(2',4'-dichlorophenyl)-N-p-chlorophenyl...)
Show SMILES Clc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H17Cl4N3O/c26-15-4-8-18(9-5-15)30-25(33)23-20-3-1-2-14-12-16(27)6-10-19(14)24(20)32(31-23)22-11-7-17(28)13-21(22)29/h4-13H,1-3H2,(H,30,33)
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brainMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50058438(CHEMBL3329244)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1scc(C)c-21
Show InChI InChI=1S/C28H35N3OS/c1-16(2)21-11-8-18(4)12-23(21)29-28(32)26-22-13-24-25(19(5)15-33-24)27(22)31(30-26)14-20-9-6-17(3)7-10-20/h6-7,9-10,15-16,18,21,23H,8,11-14H2,1-5H3,(H,29,32)/t18-,21+,23?/m0/s1
Affinity DataKi:  2.70nMAssay Description:Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50020599(CHEMBL3290449)
Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1CC2CC[C@]1(C)C2(C)C
Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-24-22(31-32(23(17)24)19-8-6-16(28)13-18(19)29)25(33)30-21-12-15-9-10-27(21,4)26(15,2)3/h5-8,11,13,15,21H,9-10,12H2,1-4H3,(H,30,33)/t15?,21-,27-/m0/s1
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysisMore data for this Ligand-Target Pair
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