Compile Data Set for Download or QSAR
Found 2429 with Last Name = 'buzard' and Initial = 'dj'
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006257(CHEMBL3233404)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(OO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-20(25)22-18-15-17(28-26)10-11-19(18)24(4,5)27-21(22)14-16/h10,13-14,18-19,25-26H,6-9,11-12,15H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  0.0320nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

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
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50319300(CHEMBL1083162 | N-(2-(1H-imidazol-4-yl)ethyl)-3-(4...)
Show SMILES Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C23H26FN5O/c1-15-12-18(30-11-3-9-25-10-8-17-13-26-14-27-17)4-5-19(15)23-28-21-7-6-20(24)16(2)22(21)29-23/h4-7,12-14,25H,3,8-11H2,1-2H3,(H,26,27)(H,28,29)
Affinity DataKi:  0.210nMAssay Description:Displacement of [3H]histamine from human recombinant histamine H4 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

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:  0.220nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

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:  0.300nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50067735((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
Affinity DataKi:  0.490nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

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:Binding affinity to human CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006253(A-836339 | CHEMBL1668519)
Show SMILES COCCn1c(C)c(C)s\c1=N/C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3/b17-14-
Affinity DataKi:  0.640nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

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:  0.690nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006265(CHEMBL3234672)
Show SMILES CC1(C)Cc2ccc(cc2[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1)C#N
Show InChI InChI=1S/C21H18ClN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1
Affinity DataKi:  0.710nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

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:  0.730nMAssay Description:Binding affinity to human CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50067735((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
Affinity DataKi:  0.830nMAssay Description:Binding affinity to human CB1 receptorMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22564(2-arylbenzimidazole derivative, 10 | 2-{2-chloro-4...)
Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C24H31ClN4O/c1-17-14-18(2)23-22(15-17)26-24(27-23)20-7-6-19(16-21(20)25)30-13-5-10-29-9-4-8-28(3)11-12-29/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,26,27)
Affinity DataKi:  1nM ΔG°:  -51.4kJ/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50272598(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
Affinity DataKi:  1nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006257(CHEMBL3233404)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(OO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-20(25)22-18-15-17(28-26)10-11-19(18)24(4,5)27-21(22)14-16/h10,13-14,18-19,25-26H,6-9,11-12,15H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity to rat CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072769((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by liquid scintillation counting in presence of serine protease inhibitor ...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006316(CHEMBL3234700)
Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1CN1CC(O)C1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C22H29F3N4O2S/c1-5-6-9-29-20(32-19(27-29)21(2,3)4)26-18(31)17-10-15(22(23,24)25)8-7-14(17)11-28-12-16(30)13-28/h7-8,10,16,30H,5-6,9,11-13H2,1-4H3/b26-20-
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50287941((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  1.80nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006269(CHEMBL3234669)
Show SMILES COc1cccc2c(C(=O)c3ccc(Br)c4ccccc34)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H27BrN2O3/c1-18-25(27(31)21-10-11-23(28)20-7-4-3-6-19(20)21)22-8-5-9-24(32-2)26(22)30(18)13-12-29-14-16-33-17-15-29/h3-11H,12-17H2,1-2H3
Affinity DataKi:  1.80nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

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:  1.90nMAssay Description:Binding affinity to CB1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006229(CHEMBL3235057)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)N[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1
Affinity DataKi:  2nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006255(CHEMBL418353)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1
Show InChI InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by liquid scintillation counting in presence of serine protease inhibitor ...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50287941((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  2.20nMAssay Description:Binding affinity to human CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Rattus norvegicus (Rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006416(CHEMBL3234708)
Show SMILES Cc1c2CCCCn2c(=O)c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c12
Show InChI InChI=1S/C24H31NO5/c1-14-17-10-8-9-11-25(17)20(26)16-12-15(29-21(27)23(2,3)4)13-18(19(14)16)30-22(28)24(5,6)7/h12-13H,8-11H2,1-7H3
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]-CP55940 from rat CB2 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353747(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
Affinity DataKi:  2.90nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006442(Levonantradol)
Show SMILES C[C@H](CCCc1ccccc1)Oc1cc2N[C@@H](C)[C@@H]3CC[C@@H](O)C[C@H]3c2c(OC(C)=O)c1
Show InChI InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]SR141716A from rat brain CB1 receptor by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50319302(5-(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-y...)
Show SMILES Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C24H26FN5O/c1-15-12-17(31-11-3-9-30-10-8-20-22(13-30)27-14-26-20)4-5-18(15)24-28-21-7-6-19(25)16(2)23(21)29-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,26,27)(H,28,29)
Affinity DataKi:  3.30nMAssay Description:Displacement of [3H]histamine from human recombinant histamine H4 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180036((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
Affinity DataKi:  3.40nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM21283(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3
Affinity DataKi:  3.40nMAssay Description:Displacement of [3H]-CP55940 from CB2 receptor of mouse spleen membranesMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50234418((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
Affinity DataKi:  3.80nMAssay Description:Agonist activity at human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50335934((6aR,10aR)-3-(6-cyano-2-methylhexan-2-yl)-6,6,9-tr...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCCN3CCOCC3)cc(cc1OC2(C)C)C(C)(C)CCCCC#N
Show InChI InChI=1S/C32H46N2O4/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3/t25-,26-/m1/s1
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor transfected in CHO cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Rattus norvegicus (Rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006261(CHEMBL3234698)
Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1
Show InChI InChI=1S/C25H32F3N3O4/c1-23(2,33)15-35-19-8-7-16(25(26,27)28)12-18(19)22(32)29-21-13-20(24(3)9-10-24)30(4)31(21)14-17-6-5-11-34-17/h7-8,12-13,17,33H,5-6,9-11,14-15H2,1-4H3/b29-21+/t17-/m1/s1
Affinity DataKi:  4.40nMAssay Description:Displacement of [3H]-CP55940 from rat CB2 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006416(CHEMBL3234708)
Show SMILES Cc1c2CCCCn2c(=O)c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c12
Show InChI InChI=1S/C24H31NO5/c1-14-17-10-8-9-11-25(17)20(26)16-12-15(29-21(27)23(2,3)4)13-18(19(14)16)30-22(28)24(5,6)7/h12-13H,8-11H2,1-7H3
Affinity DataKi:  4.80nMAssay Description:Displacement of [3H]-CP55940 from mouse CB2 receptor by liquid scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50319295(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-yl)-...)
Show SMILES Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C24H25FN4O/c1-16-13-19(30-12-4-11-27-15-18-5-3-10-26-14-18)6-7-20(16)24-28-22-9-8-21(25)17(2)23(22)29-24/h3,5-10,13-14,27H,4,11-12,15H2,1-2H3,(H,28,29)
Affinity DataKi:  5.30nMAssay Description:Displacement of [3H]histamine from human recombinant histamine H4 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006416(CHEMBL3234708)
Show SMILES Cc1c2CCCCn2c(=O)c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c12
Show InChI InChI=1S/C24H31NO5/c1-14-17-10-8-9-11-25(17)20(26)16-12-15(29-21(27)23(2,3)4)13-18(19(14)16)30-22(28)24(5,6)7/h12-13H,8-11H2,1-7H3
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM21283(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3
Affinity DataKi:  7.10nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50116851((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C27H33N3O5/c1-19-24(26(31)28-22(27(32)34-3)18-20-8-5-4-6-9-20)21-10-7-11-23(33-2)25(21)30(19)13-12-29-14-16-35-17-15-29/h4-11,22H,12-18H2,1-3H3,(H,28,31)/t22-/m0/s1
Affinity DataKi:  8nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22563(2-arylbenzimidazole derivative, 9 | 2-{2-chloro-4-...)
Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C24H31ClN4O/c1-17-6-9-22-23(18(17)2)27-24(26-22)20-8-7-19(16-21(20)25)30-15-5-12-29-11-4-10-28(3)13-14-29/h6-9,16H,4-5,10-15H2,1-3H3,(H,26,27)
Affinity DataKi:  9nM ΔG°:  -45.9kJ/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006254(CHEMBL3234035)
Show SMILES CCCCCCC(C)(C)c1cc(O)c([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)c(OC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1
Affinity DataKi:  9nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353747(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
Affinity DataKi:  9.5nMAssay Description:Binding affinity to CB1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50006252(CHEMBL3234671)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)N[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24-,26+/m1/s1
Affinity DataKi:  11nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50335934((6aR,10aR)-3-(6-cyano-2-methylhexan-2-yl)-6,6,9-tr...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCCN3CCOCC3)cc(cc1OC2(C)C)C(C)(C)CCCCC#N
Show InChI InChI=1S/C32H46N2O4/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3/t25-,26-/m1/s1
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor transfected in CHO cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Rattus norvegicus (Rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50005917(CHEMBL3234681)
Show SMILES CC(C)(C)NC(=O)c1nn(c2[C@@H]3CC[C@@H](C3)c12)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1
Affinity DataKi:  12nMAssay Description:Binding affinity to rat CB2 receptorMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50319285(5-fluoro-4-methyl-2-(2-methyl-4-(3-((4aR,7aR)-tetr...)
Show SMILES Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C25H31FN4O/c1-16-13-19(31-12-4-11-30-14-18-5-3-10-27-23(18)15-30)6-7-20(16)25-28-22-9-8-21(26)17(2)24(22)29-25/h6-9,13,18,23,27H,3-5,10-12,14-15H2,1-2H3,(H,28,29)/t18-,23+/m1/s1
Affinity DataKi:  14nMAssay Description:Displacement of [3H]histamine from human recombinant histamine H4 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM21282(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)
Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
Affinity DataKi:  14nMAssay Description:Binding affinity to CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50272598(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
Affinity DataKi:  16nMAssay Description:Binding affinity to CB1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50287940((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h16-17,20-21H,2,8-15H2,1,3-7H3/t20-,21-/m1/s1
Affinity DataKi:  19nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50319279(1-(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-y...)
Show SMILES CNC1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1
Show InChI InChI=1S/C23H29FN4O/c1-15-13-18(29-12-4-10-28-11-9-17(14-28)25-3)5-6-19(15)23-26-21-8-7-20(24)16(2)22(21)27-23/h5-8,13,17,25H,4,9-12,14H2,1-3H3,(H,26,27)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]histamine from human recombinant histamine H4 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50054472((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1
Affinity DataKi:  20nMAssay Description:Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by liquid scintillation counting in presence of serine protease inhibitor ...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Arena Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50287939((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6,9...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12,16-17,20-21H,8-11,13-15H2,1-7H3/t20-,21-/m1/s1
Affinity DataKi:  20nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 2429 total ) | Next | Last >>
Jump to: