Compile Data Set for Download or QSAR
Found 655 with Last Name = 'murineddu' and Initial = 'g'
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(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
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50216315((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
Affinity DataKi:  0.0180nMAssay Description:Agonist activity at alpha4beta2 nAChR (unknown origin)More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50216315((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
Affinity DataKi:  0.0180nMAssay Description:Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatumMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406803(CHEMBL4168511)
Show SMILES C1N[C@@H]2C[C@H]1N(C2)c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m1/s1
Affinity DataKi:  0.0200nMAssay Description:Agonist activity at alpha4beta2 nAChR (unknown origin)More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406472(CHEMBL4163848)
Show SMILES [O-][N+](=O)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)
Affinity DataKi:  0.0225nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50275878(3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...)
Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
Affinity DataKi:  0.0230nMAssay Description:Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortexMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

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

Curated by ChEMBL
LigandPNGBDBM50275880(3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...)
Show SMILES Brc1ccc(cn1)N1CC2CC(C1)N2
Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
Affinity DataKi:  0.0390nMAssay Description:Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortexMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi di Sassari

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

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKi:  0.0450nMAssay Description:Agonist activity at alpha4beta2 nAChR (unknown origin)More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50143320((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
Affinity DataKi:  0.0450nMAssay Description:Binding affinity to alpha4beta2 nAChR (unknown origin)More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50143314((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membraneMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
Affinity DataKi:  0.0500nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50275879(3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...)
Show SMILES C1C2CN(CC1N2)c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
Affinity DataKi:  0.0560nMAssay Description:Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortexMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406539(CHEMBL4175573)
Show SMILES COc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C17H20N4O/c1-22-17-4-2-12(3-5-17)19-13-7-16(9-18-8-13)21-10-14-6-15(11-21)20-14/h2-5,7-9,14-15,19-20H,6,10-11H2,1H3
Affinity DataKi:  0.0598nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406641(CHEMBL4170527)
Show SMILES C1C2CN(CC1N2)c1cncc(Nc2ccccc2)c1
Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34)
Affinity DataKi:  0.0807nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406500(CHEMBL4166573)
Show SMILES Fc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C16H17FN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2
Affinity DataKi:  0.0910nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore 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
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406544(CHEMBL4174940)
Show SMILES Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C16H17ClN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2
Affinity DataKi:  0.118nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406515(CHEMBL4161931)
Show SMILES Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1
Show InChI InChI=1S/C16H17ClN4/c17-11-2-1-3-12(4-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2
Affinity DataKi:  0.124nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406685(CHEMBL4164252)
Show SMILES Cc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C19H15N7O2/c27-19(28)16-10-20-11-22-17(16)21-9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-23-25-26-24-18/h1-8,10-11H,9H2,(H,27,28)(H,20,21,22)(H,23,24,25,26)
Affinity DataKi:  0.148nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50143314((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membraneMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406542(CHEMBL4160595)
Show SMILES C1N[C@H]2C[C@@H]1N(C2)c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Agonist activity at alpha4beta2 nAChR (unknown origin)More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50275932(3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]...)
Show SMILES Clc1ccc(nn1)N1CC2CC(C1)N2
Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2
Affinity DataKi:  0.168nMAssay Description:Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortexMore 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£ degli Studi 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 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 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(Homo sapiens (Human))
Universit£ di Sassari

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:  0.310nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins 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
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£ degli Studi 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
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi 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
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406792(CHEMBL4174509)
Show SMILES Oc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)
Affinity DataKi:  0.342nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406686(CHEMBL4167298)
Show SMILES FC(F)(F)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C24H25N7O2/c1-3-4-9-21-25-14-20(24(32)33)23(26-21)31(2)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-27-29-30-28-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,32,33)(H,27,28,29,30)
Affinity DataKi:  0.373nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406543(CHEMBL4169986)
Show SMILES C1CC2CN(CC1N2)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-5-1)14-7-9-3-4-10(8-14)13-9/h1-2,5-6,9-10,13H,3-4,7-8H2
Affinity DataKi:  0.400nMAssay Description:Agonist activity at alpha4beta2 nAChR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Università di Sassari

Curated by ChEMBL
LigandPNGBDBM50275933(3-(6-chloropyridin-3-yl)-6-methyl-3,6-diazabicyclo...)
Show SMILES CN1C2CC1CN(C2)c1ccc(Cl)nc1
Show InChI InChI=1S/C11H14ClN3/c1-14-9-4-10(14)7-15(6-9)8-2-3-11(12)13-5-8/h2-3,5,9-10H,4,6-7H2,1H3
Affinity DataKi:  0.430nMAssay Description:Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortexMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ degli Studi 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
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Istituto di Chimica Biomolecolare

Curated by ChEMBL
LigandPNGBDBM50406541(CHEMBL4163257)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1
Show InChI InChI=1S/C17H17F3N4/c18-17(19,20)11-1-3-12(4-2-11)23-16-6-5-15(8-21-16)24-9-13-7-14(10-24)22-13/h1-6,8,13-14,22H,7,9-10H2,(H,21,23)
Affinity DataKi:  0.569nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranesMore 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:  0.600nMAssay Description:Displacement of [3H]CP-55,940 from human frontal cortex CB2 receptor expressed in CHO cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
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