Compile Data Set for Download or QSAR
Found 2808 with Last Name = 'sharma' and Initial = 'r'
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532777(CHEMBL4470925)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532777(CHEMBL4470925)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233601(CHEMBL4062745)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCC#N
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.100nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50421256(CHEMBL2087874)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H28N4O2S2/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)32-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29)
Affinity DataKi:  0.200nMAssay Description:Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

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:  0.200nMAssay Description:Binding affinity to mouse CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.200nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532778(CHEMBL4465566 | US10882838, Example 3.6)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1
Affinity DataKi:  0.200nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

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:  0.200nMAssay Description:Binding affinity to mouse CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233619(CHEMBL4085404 | US10882838, Example 1.18)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCC1)C(=O)OCCCCBr
Show InChI InChI=1S/C25H33BrO4/c1-16-7-8-19-18(13-16)22-20(27)14-17(15-21(22)30-24(19,2)3)25(9-6-10-25)23(28)29-12-5-4-11-26/h7,14-15,18-19,27H,4-6,8-13H2,1-3H3/t18-,19-/m1/s1
Affinity DataKi:  0.300nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50421255(CHEMBL2087873)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H29N5OS2/c1-31(2)12-13-32-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)30-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H2,27,28,29,30)
Affinity DataKi:  0.300nMAssay Description:Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233599(CHEMBL3104360)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233619(CHEMBL4085404 | US10882838, Example 1.18)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCC1)C(=O)OCCCCBr
Show InChI InChI=1S/C25H33BrO4/c1-16-7-8-19-18(13-16)22-20(27)14-17(15-21(22)30-24(19,2)3)25(9-6-10-25)23(28)29-12-5-4-11-26/h7,14-15,18-19,27H,4-6,8-13H2,1-3H3/t18-,19-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233599(CHEMBL3104360)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50421257(CHEMBL2087875)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C28H31N5OS2/c1-2-6-20(7-3-1)24-25-27(29-18-23-35-16-17-36-23)30-19-31-28(25)32-26(24)21-8-10-22(11-9-21)34-15-14-33-12-4-5-13-33/h1-3,6-11,19,23H,4-5,12-18H2,(H2,29,30,31,32)
Affinity DataKi:  0.300nMAssay Description:Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233605(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES CCCCOC(=O)C1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
Affinity DataKi:  0.400nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

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:  0.5nMAssay Description:Displacement of [3H]CP55940 from human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233602(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCC#N
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474533(US10882838, Example 1.5)
Show SMILES CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCCBr
Show InChI InChI=1S/C25H35BrO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10-13H2,1-5H3/t18-,19+/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474531(US10882838, Example 1.3)
Show SMILES CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCC#N
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19+/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

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:  0.5nMAssay Description:Displacement of [3H]CP55940 from human CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233622(CHEMBL4073011 | US10882838, Example 1.35)
Show SMILES CCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H30O4/c1-7-25-20(24)21(3,4)14-11-17(23)19-15-10-13(2)8-9-16(15)22(5,6)26-18(19)12-14/h8,11-12,15-16,23H,7,9-10H2,1-6H3/t15-,16-/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233613(CHEMBL4092136 | US10882838, Example 1.33)
Show SMILES CCCCC(=O)OCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233622(CHEMBL4073011 | US10882838, Example 1.35)
Show SMILES CCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H30O4/c1-7-25-20(24)21(3,4)14-11-17(23)19-15-10-13(2)8-9-16(15)22(5,6)26-18(19)12-14/h8,11-12,15-16,23H,7,9-10H2,1-6H3/t15-,16-/m1/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233602(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCC#N
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233606(CHEMBL4068675)
Show SMILES CCCSC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233613(CHEMBL4092136 | US10882838, Example 1.33)
Show SMILES CCCCC(=O)OCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474558(US10882838, Example 1.30)
Show SMILES CCCSC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24-25,27H,7,9-11H2,1-6H3/p-1/t16-,17-/m1/s1
Affinity DataKi:  0.5nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532780(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532780(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50532780(CHEMBL4475022 | US10882838, Example 2.2)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474530(US10882838, Example 1.2)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)CCCCBr
Show InChI InChI=1S/C24H33BrO3/c1-15-9-10-18-17(12-15)22-19(26)13-16(14-20(22)28-24(18,4)5)23(2,3)21(27)8-6-7-11-25/h9,13-14,17-18,26H,6-8,10-12H2,1-5H3/t17-,18-/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474532(US10882838, Example 1.4)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18+/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(MOUSE)
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474532(US10882838, Example 1.4)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18+/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474533(US10882838, Example 1.5)
Show SMILES CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCCBr
Show InChI InChI=1S/C25H35BrO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10-13H2,1-5H3/t18-,19+/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233612(CHEMBL4102348 | US10882838, Example 1.7)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCBr
Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1
Affinity DataKi:  0.600nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50495106(CHEMBL3104358 | US10882838, Example 1.16)
Show SMILES CCCCOC(=O)[C@@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O4/c1-6-7-10-26-22(25)15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)23(4,5)27-20(21)13-16/h8,12-13,15,17-18,24H,6-7,9-11H2,1-5H3/t15-,17+,18+/m0/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233608(CHEMBL4094603)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCCBr
Show InChI InChI=1S/C25H35BrO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10-13H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233605(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES CCCCOC(=O)C1(CCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233606(CHEMBL4068675)
Show SMILES CCCSC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474540(US10882838, Example 1.12)
Show SMILES CCCCOC(=O)C(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O4/c1-6-7-10-26-22(25)15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)23(4,5)27-20(21)13-16/h8,12-13,15,17-18,24H,6-7,9-11H2,1-5H3/t15?,17-,18-/m1/s1
Affinity DataKi:  0.700nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 2(Homo sapiens (Human))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474532(US10882838, Example 1.4)
Show SMILES CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18+/m1/s1
Affinity DataKi:  0.700nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM50233601(CHEMBL4062745)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCC#N
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Northeastern University

Curated by ChEMBL
LigandPNGBDBM474531(US10882838, Example 1.3)
Show SMILES CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCCC#N
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19+/m1/s1
Affinity DataKi:  0.700nMAssay Description:All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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