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Articleid 50029793

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067735
PNG
((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 |c:17|
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
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0.490n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287934
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
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/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067735
PNG
((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 |c:17|
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
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0.830n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287941
PNG
((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
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287934
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
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/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287935
PNG
(4-(1,1-Dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2,...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O2/c1-6-7-8-9-10-23(4,5)19-14-20(24)22(21(25)15-19)18-12-16(2)11-17(3)13-18/h11-15,24-25H,6-10H2,1-5H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287930
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C=O)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O3/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/h10,14-16,19-20,27H,6-9,11-13H2,1-5H3/t19-,20-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287941
PNG
((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
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287930
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C=O)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O3/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/h10,14-16,19-20,27H,6-9,11-13H2,1-5H3/t19-,20-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213163
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3
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4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213163
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287940
PNG
((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
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287939
PNG
((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 |c:18|
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
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287933
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16|
Show InChI InChI=1S/C25H38O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287936
PNG
((6aS,10aS)-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 |c:17|
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-/m0/s1
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287936
PNG
((6aS,10aS)-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 |c:17|
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-/m0/s1
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287937
PNG
(5-(1,1-Dimethyl-heptyl)-2-((R)-4,6,6-trimethyl-bic...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)C3C[C@H]2C3(C)C)c(O)c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-11-24(3,4)17-13-21(26)23(22(27)14-17)18-12-16(2)19-15-20(18)25(19,5)6/h12-14,18-20,26-27H,7-11,15H2,1-6H3/t18-,19?,20-/m1/s1
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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287935
PNG
(4-(1,1-Dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2,...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O2/c1-6-7-8-9-10-23(4,5)19-14-20(24)22(21(25)15-19)18-12-16(2)11-17(3)13-18/h11-15,24-25H,6-10H2,1-5H3
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287942
PNG
((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(C=O)=CC[C@@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O3/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/h10,14-16,19-20,27H,6-9,11-13H2,1-5H3/t19-,20-/m0/s1
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97n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287942
PNG
((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(C=O)=CC[C@@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O3/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/h10,14-16,19-20,27H,6-9,11-13H2,1-5H3/t19-,20-/m0/s1
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119n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287938
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-7-8-9-10-13-24(2,3)17-14-21(27-6)23-19-16-18(26)11-12-20(19)25(4,5)28-22(23)15-17/h14-15,19-20H,7-13,16H2,1-6H3/t19-,20-/m1/s1
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132n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287933
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16|
Show InChI InChI=1S/C25H38O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287937
PNG
(5-(1,1-Dimethyl-heptyl)-2-((R)-4,6,6-trimethyl-bic...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)C3C[C@H]2C3(C)C)c(O)c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-11-24(3,4)17-13-21(26)23(22(27)14-17)18-12-16(2)19-15-20(18)25(19,5)6/h12-14,18-20,26-27H,7-11,15H2,1-6H3/t18-,19?,20-/m1/s1
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350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287931
PNG
(4-(1,1-Dimethyl-heptyl)-2,6-dimethoxy-3',5'-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C25H36O2/c1-8-9-10-11-12-25(4,5)21-16-22(26-6)24(23(17-21)27-7)20-14-18(2)13-19(3)15-20/h13-17H,8-12H2,1-7H3
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433n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287932
PNG
(CHEMBL56249 | Phosphoric acid (6aR,10aR)-3-(1,1-di...)
Show SMILES CCCCCCC(C)(C)c1cc(OP(=O)(OCC)OCC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H47O5P/c1-9-12-13-14-17-28(5,6)22-19-25-27(26(20-22)34-35(30,31-10-2)32-11-3)23-18-21(4)15-16-24(23)29(7,8)33-25/h15,19-20,23-24H,9-14,16-18H2,1-8H3/t23-,24-/m1/s1
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442n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287938
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-7-8-9-10-13-24(2,3)17-14-21(27-6)23-19-16-18(26)11-12-20(19)25(4,5)28-22(23)15-17/h14-15,19-20H,7-13,16H2,1-6H3/t19-,20-/m1/s1
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621n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213142
PNG
(4'-(1,1-Dimethyl-heptyl)-3,5-dimethyl-biphenyl | C...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32/c1-6-7-8-9-14-23(4,5)22-12-10-20(11-13-22)21-16-18(2)15-19(3)17-21/h10-13,15-17H,6-9,14H2,1-5H3
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2.14E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287939
PNG
((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 |c:18|
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
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1.59E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287932
PNG
(CHEMBL56249 | Phosphoric acid (6aR,10aR)-3-(1,1-di...)
Show SMILES CCCCCCC(C)(C)c1cc(OP(=O)(OCC)OCC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H47O5P/c1-9-12-13-14-17-28(5,6)22-19-25-27(26(20-22)34-35(30,31-10-2)32-11-3)23-18-21(4)15-16-24(23)29(7,8)33-25/h15,19-20,23-24H,9-14,16-18H2,1-8H3/t23-,24-/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay; second determination


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287940
PNG
((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
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287932
PNG
(CHEMBL56249 | Phosphoric acid (6aR,10aR)-3-(1,1-di...)
Show SMILES CCCCCCC(C)(C)c1cc(OP(=O)(OCC)OCC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H47O5P/c1-9-12-13-14-17-28(5,6)22-19-25-27(26(20-22)34-35(30,31-10-2)32-11-3)23-18-21(4)15-16-24(23)29(7,8)33-25/h15,19-20,23-24H,9-14,16-18H2,1-8H3/t23-,24-/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay; first determination


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287931
PNG
(4-(1,1-Dimethyl-heptyl)-2,6-dimethoxy-3',5'-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C25H36O2/c1-8-9-10-11-12-25(4,5)21-16-22(26-6)24(23(17-21)27-7)20-14-18(2)13-19(3)15-20/h13-17H,8-12H2,1-7H3
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213142
PNG
(4'-(1,1-Dimethyl-heptyl)-3,5-dimethyl-biphenyl | C...)
Show SMILES CCCCCCC(C)(C)c1ccc(cc1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32/c1-6-7-8-9-14-23(4,5)22-12-10-20(11-13-22)21-16-18(2)15-19(3)17-21/h10-13,15-17H,6-9,14H2,1-5H3
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>3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%