Compile Data Set for Download or QSAR
Found 1807 of ic50 for UniProtKB: P34972
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341928(CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1
Affinity DataIC50: 0.140nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379694(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
Affinity DataIC50: 0.200nMAssay Description:Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50491838(CHEMBL2387185)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC(C)(C)c2ccccc2)c1=O
Show InChI InChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
Affinity DataIC50: 0.200nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50491839(CHEMBL2387183)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2CCCCC2)c1=O
Show InChI InChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25)
Affinity DataIC50: 0.200nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50340312((2,3-dichlorophenyl)(1-((4,4-difluoropiperidin-1-y...)
Show SMILES FC1(F)CCN(Cc2nc(C(=O)c3cccc(Cl)c3Cl)n3ccccc23)CC1
Show InChI InChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2
Affinity DataIC50: 0.300nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP levelMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM176622(US9115121, 13)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(c1)C(C)(C)O
Show InChI InChI=1S/C21H22ClFN4O2/c1-21(2,28)16-12-14(6-9-17(16)22)18-25-19(27-20(26-18)29-3)24-11-10-13-4-7-15(23)8-5-13/h4-9,12,28H,10-11H2,1-3H3,(H,24,25,26,27)
Affinity DataIC50: 0.400nMAssay Description:Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50222831(CHEMBL401132 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-8-9-12)25-17(27)13-6-5-7-14(15(13)21)20(22,23)24/h5-7,12H,8-10H2,1-4H3/b25-18-
Affinity DataIC50: 0.410nMAssay Description:Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50222845(CHEMBL247830 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2ccccc2C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-9-10-13)24-17(26)14-7-5-6-8-15(14)20(21,22)23/h5-8,13H,9-11H2,1-4H3/b24-18-
Affinity DataIC50: 0.5nMAssay Description:Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341934(CHEMBL1765259 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2ncccc2c1)c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24(19-12-13-22-18(17-19)7-6-15-26-22)27-16-14-25(29,20-8-2-1-3-9-20)21-10-4-5-11-23(21)27/h1-3,6-9,12-13,15,17,21,23,29H,4-5,10-11,14,16H2/t21-,23+,25-/m1/s1
Affinity DataIC50: 0.530nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341920(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1
Affinity DataIC50: 0.550nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM176622(US9115121, 13)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(c1)C(C)(C)O
Show InChI InChI=1S/C21H22ClFN4O2/c1-21(2,28)16-12-14(6-9-17(16)22)18-25-19(27-20(26-18)29-3)24-11-10-13-4-7-15(23)8-5-13/h4-9,12,28H,10-11H2,1-3H3,(H,24,25,26,27)
Affinity DataIC50: 0.580nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590808(6-(5-(difluoromethoxy)pyridin-2-yl)-N-(1-(4- fluo...)
Show SMILES CC(NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1ccc(OC(F)F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F3N5O4/c1-18(19-2-4-22(30)5-3-19)35-27(38)24-15-20-14-21(25-7-6-23(17-33-25)41-29(31)32)16-34-26(20)37(28(24)39)9-8-36-10-12-40-13-11-36/h2-7,14-18,29H,8-13H2,1H3,(H,35,38)
Affinity DataIC50: 0.600nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590790(6-(5-fluoropyridin-2-yl)-1-(2- morpholinoethyl)-2-...)
Show SMILES Fc1ccc(nc1)-c1cnc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC1CC2(CCC2)C1
Show InChI InChI=1S/C27H30FN5O3/c28-20-2-3-23(29-17-20)19-12-18-13-22(25(34)31-21-14-27(15-21)4-1-5-27)26(35)33(24(18)30-16-19)7-6-32-8-10-36-11-9-32/h2-3,12-13,16-17,21H,1,4-11,14-15H2,(H,31,34)
Affinity DataIC50: 0.600nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341930(CHEMBL1765246 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cccc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22+,24-/m0/s1
Affinity DataIC50: 0.620nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50308537(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
Affinity DataIC50: 0.630nMAssay Description:Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50340311((3-fluoro-2-(trifluoromethyl)phenyl)(1-(morpholino...)
Show SMILES Fc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1C(F)(F)F
Show InChI InChI=1S/C20H17F4N3O2/c21-14-5-3-4-13(17(14)20(22,23)24)18(28)19-25-15(12-26-8-10-29-11-9-26)16-6-1-2-7-27(16)19/h1-7H,8-12H2
Affinity DataIC50: 0.700nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP levelMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590781(6-(4-methoxyphenyl)-1-(2- morpholinoethyl)-2-oxo-...)
Show SMILES COc1ccc(cc1)-c1cnc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC1CCC2(CC2)CC1
Show InChI InChI=1S/C30H36N4O4/c1-37-25-4-2-21(3-5-25)23-18-22-19-26(28(35)32-24-6-8-30(9-7-24)10-11-30)29(36)34(27(22)31-20-23)13-12-33-14-16-38-17-15-33/h2-5,18-20,24H,6-17H2,1H3,(H,32,35)
Affinity DataIC50: 0.700nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50029958(CHEMBL3353439)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)
Affinity DataIC50: 0.720nMAssay Description:HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21311(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
Affinity DataIC50: 0.770nMAssay Description:Binding affinity to CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21311(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
Affinity DataIC50: 0.770nMAssay Description:Displacement of [3H]CP-55940 from human recombinant CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50308539(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
Affinity DataIC50: 0.790nMAssay Description:Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590785(6-(4-fluorophenyl)-1-(2-morpholinoethyl)-2- oxo-N-...)
Show SMILES Fc1ccc(cc1)-c1cnc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC1CC2(CCC2)C1
Show InChI InChI=1S/C28H31FN4O3/c29-22-4-2-19(3-5-22)21-14-20-15-24(26(34)31-23-16-28(17-23)6-1-7-28)27(35)33(25(20)30-18-21)9-8-32-10-12-36-13-11-32/h2-5,14-15,18,23H,1,6-13,16-17H2,(H,31,34)
Affinity DataIC50: 0.800nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

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 DataIC50: 0.820nMAssay Description:Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

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 DataIC50: 0.820nMAssay Description:Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341929(CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1
Affinity DataIC50: 0.820nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379693(CHEMBL2010905)
Show SMILES CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2COCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)
Affinity DataIC50: 1nMAssay Description:Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM176668(US9115121, 65)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(OCC(N)=O)c1
Show InChI InChI=1S/C20H19ClFN5O3/c1-29-20-26-18(13-4-7-15(21)16(10-13)30-11-17(23)28)25-19(27-20)24-9-8-12-2-5-14(22)6-3-12/h2-7,10H,8-9,11H2,1H3,(H2,23,28)(H,24,25,26,27)
Affinity DataIC50: 1nMAssay Description:Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM176645(US9115121, 37)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(F)c2cccnc12
Show InChI InChI=1S/C21H17F2N5O/c1-29-21-27-19(16-8-9-17(23)15-3-2-11-24-18(15)16)26-20(28-21)25-12-10-13-4-6-14(22)7-5-13/h2-9,11H,10,12H2,1H3,(H,25,26,27,28)
Affinity DataIC50: 1nMAssay Description:Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590787(1-(2-morpholinoethyl)-2-oxo-6- (pyridin-2-yl)-N-(s...)
Show SMILES O=C(NC1CC2(CCC2)C1)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1ccccn1
Show InChI InChI=1S/C27H31N5O3/c33-25(30-21-16-27(17-21)5-3-6-27)22-15-19-14-20(23-4-1-2-7-28-23)18-29-24(19)32(26(22)34)9-8-31-10-12-35-13-11-31/h1-2,4,7,14-15,18,21H,3,5-6,8-13,16-17H2,(H,30,33)
Affinity DataIC50: 1nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM176606(US9115121, 58)
Show SMILES COc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(OC)c(c1)C(C)(C)O
Show InChI InChI=1S/C22H25FN4O3/c1-22(2,28)17-13-15(7-10-18(17)29-3)19-25-20(27-21(26-19)30-4)24-12-11-14-5-8-16(23)9-6-14/h5-10,13,28H,11-12H2,1-4H3,(H,24,25,26,27)
Affinity DataIC50: 1nMAssay Description:Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50380894(CHEMBL2019078)
Show SMILES OC(=O)C1(CCCCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C28H42N2O4/c31-25(29-28(27(33)34)17-11-4-1-5-12-18-28)23-19-22-15-9-2-3-10-16-24(22)30(26(23)32)20-21-13-7-6-8-14-21/h19,21H,1-18,20H2,(H,29,31)(H,33,34)
Affinity DataIC50: 1nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 minsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50375384(CHEMBL263913)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C
Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+
Affinity DataIC50: 1.10nMAssay Description:Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

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 DataIC50: 1.10nMAssay Description:Agonist activity at human CB2 in CHO cells assessed as inhibition of cAMP productionMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50222834(CHEMBL398713 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2S/c1-12-17(20(2,3)4)29-19(26(12)11-13-6-7-13)25-18(27)15-10-14(21(22,23)24)8-9-16(15)28-5/h8-10,13H,6-7,11H2,1-5H3/b25-19-
Affinity DataIC50: 1.20nMAssay Description:Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590783(N-(1-(4-fluorophenyl)ethyl)-6-(4-methoxyphenyl)-1-...)
Show SMILES COc1ccc(cc1)-c1cnc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC(C)c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN4O4/c1-20(21-3-7-25(31)8-4-21)33-29(36)27-18-23-17-24(22-5-9-26(38-2)10-6-22)19-32-28(23)35(30(27)37)12-11-34-13-15-39-16-14-34/h3-10,17-20H,11-16H2,1-2H3,(H,33,36)
Affinity DataIC50: 1.20nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590782(6-(4-methoxyphenyl)-1-(2-morpholinoethyl)-2- oxo-N...)
Show SMILES COc1ccc(cc1)-c1cnc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC1CC2(CCC2)C1
Show InChI InChI=1S/C29H34N4O4/c1-36-24-5-3-20(4-6-24)22-15-21-16-25(27(34)31-23-17-29(18-23)7-2-8-29)28(35)33(26(21)30-19-22)10-9-32-11-13-37-14-12-32/h3-6,15-16,19,23H,2,7-14,17-18H2,1H3,(H,31,34)
Affinity DataIC50: 1.20nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM176604(US9115121, 46)
Show SMILES COc1nc(NCCc2ccc(OC(F)F)cc2)nc(n1)-c1ccc(Cl)c(c1)C(C)(C)O
Show InChI InChI=1S/C22H23ClF2N4O3/c1-22(2,30)16-12-14(6-9-17(16)23)18-27-20(29-21(28-18)31-3)26-11-10-13-4-7-15(8-5-13)32-19(24)25/h4-9,12,19,30H,10-11H2,1-3H3,(H,26,27,28,29)
Affinity DataIC50: 1.20nMAssay Description:Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM590792(N-(4,4-dimethylcyclohexyl)-6- (4-methoxyphenyl)-1-...)
Show SMILES COc1ccc(cc1)-c1ccc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC1CCC(C)(C)CC1
Show InChI InChI=1S/C31H39N3O4/c1-31(2)12-10-25(11-13-31)32-29(35)27-21-24-20-23(22-4-7-26(37-3)8-5-22)6-9-28(24)34(30(27)36)15-14-33-16-18-38-19-17-33/h4-9,20-21,25H,10-19H2,1-3H3,(H,32,35)
Affinity DataIC50: 1.20nMAssay Description:CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50222841((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18-
Affinity DataIC50: 1.20nMAssay Description:Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

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 DataIC50: 1.30nMAssay Description:Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50491842(CHEMBL2387078)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C23H30N2O2/c1-2-3-15-25-21-14-10-5-4-9-13-19(21)16-20(23(25)27)22(26)24-17-18-11-7-6-8-12-18/h6-8,11-12,16H,2-5,9-10,13-15,17H2,1H3,(H,24,26)
Affinity DataIC50: 1.40nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50494951(CHEMBL3099054)
Show SMILES CC(C)(O)c1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OCF)n1
Show InChI InChI=1S/C21H21ClF2N4O2/c1-21(2,29)16-11-14(5-8-17(16)22)18-26-19(28-20(27-18)30-12-23)25-10-9-13-3-6-15(24)7-4-13/h3-8,11,29H,9-10,12H2,1-2H3,(H,25,26,27,28)
Affinity DataIC50: 1.40nMAssay Description:Binding affinity to human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249585(CHEMBL3099055)
Show SMILES [2H]C([2H])([18F])Oc1nc(NCCc2ccc(F)cc2)nc(n1)-c1ccc(Cl)c(c1)C(C)(C)O
Show InChI InChI=1S/C21H21ClF2N4O2/c1-21(2,29)16-11-14(5-8-17(16)22)18-26-19(28-20(27-18)30-12-23)25-10-9-13-3-6-15(24)7-4-13/h3-8,11,29H,9-10,12H2,1-2H3,(H,25,26,27,28)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of CB2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258652(CHEMBL466651 | N-(4-Methylcyclohexyl)-1-(p-fluorob...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)
Affinity DataIC50: 1.40nMAssay Description:HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341936(CHEMBL1765261 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c27-23(18-10-11-21-17(16-18)12-14-25-21)26-15-13-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,10-12,14,16,20,22,25,28H,4-5,8-9,13,15H2/t20-,22+,24-/m1/s1
Affinity DataIC50: 1.40nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50395162(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
Affinity DataIC50: 1.53nMAssay Description:Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulationMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341919(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
Affinity DataIC50: 1.60nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50495626(CHEMBL3114182)
Show SMILES Fc1ccc(Cn2cc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-22-14-12-19(13-15-22)17-29-18-21(20-8-4-3-5-9-20)16-24(26(29)31)25(30)28-23-10-6-1-2-7-11-23/h3-5,8-9,12-16,18,23H,1-2,6-7,10-11,17H2,(H,28,30)
Affinity DataIC50: 1.60nMAssay Description:Inverse agonist activity at human CB2 receptor expressed in CHO membranes by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50375385(CHEMBL264154)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C
Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+
Affinity DataIC50: 1.70nMAssay Description:Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50491840(CHEMBL2387186)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h6-8,11-12,18H,2-5,9-10,13-17H2,1H3,(H,25,27)
Affinity DataIC50: 1.70nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Displayed 1 to 50 (of 1807 total ) | Next | Last >>
Jump to: