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PubMed code 18666769

Compile data set for download or QSAR
Found 32 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))
BDBM50072775
PNG
(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 |r|
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
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PubMed
1.80n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273069
PNG
(CHEMBL453472 | tert-Butyl(2Z)-2-(1-hexyl-2-oxo-1,2...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)OC(C)(C)C)c2ccccc12 |w:10.10|
Show InChI InChI=1S/C19H27N3O3/c1-5-6-7-10-13-22-15-12-9-8-11-14(15)16(17(22)23)20-21-18(24)25-19(2,3)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,21,24)
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13.9n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273184
PNG
(CHEMBL456535 | N-[(3Z)-1-Benzyl-2-oxo-1,2-dihydro-...)
Show SMILES O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc12)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C22H17N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26)
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18.5n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273134
PNG
(CHEMBL456803 | N-[(3Z)-1-(1-Butyl)-2-oxo-1,2-dihyd...)
Show SMILES CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc12 |w:8.8|
Show InChI InChI=1S/C19H19N3O2/c1-2-3-13-22-16-12-8-7-11-15(16)17(19(22)24)20-21-18(23)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,21,23)
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19.3n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273032
PNG
(CHEMBL457185 | N'-[(3Z)-1-(1-Hexyl)-2-oxo-1,2-dihy...)
Show SMILES CCCCCCN1C(=O)\C(=N/NC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3,(H,23,25)/b22-19-
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44.3n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272989
PNG
(CHEMBL514406 | N'-[(3Z)-1-(2-Cyclohexylethyl)-2-ox...)
Show SMILES O=C(N\N=C1/C(=O)N(CCC2CCCCC2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-22(18-11-5-2-6-12-18)25-24-21-19-13-7-8-14-20(19)26(23(21)28)16-15-17-9-3-1-4-10-17/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,25,27)/b24-21-
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58.8n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272990
PNG
(CHEMBL513943 | N'-[1-(2-Cyclohexylethyl)-2-oxo-1,2...)
Show SMILES O=C(Cc1ccccc1)N\N=C1/C(=O)N(CCC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C24H27N3O2/c28-22(17-19-11-5-2-6-12-19)25-26-23-20-13-7-8-14-21(20)27(24(23)29)16-15-18-9-3-1-4-10-18/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H,25,28)/b26-23-
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n/an/an/an/a 1.24E+3n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273032
PNG
(CHEMBL457185 | N'-[(3Z)-1-(1-Hexyl)-2-oxo-1,2-dihy...)
Show SMILES CCCCCCN1C(=O)\C(=N/NC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3,(H,23,25)/b22-19-
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n/an/an/an/a 63.4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273226
PNG
(CHEMBL458057 | N-[(3Z)-5-Fluoro-1-hexyl-2-oxo-1,2-...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2cc(F)ccc12 |w:10.10|
Show InChI InChI=1S/C21H22FN3O2/c1-2-3-4-8-13-25-18-12-11-16(22)14-17(18)19(21(25)27)23-24-20(26)15-9-6-5-7-10-15/h5-7,9-12,14H,2-4,8,13H2,1H3,(H,24,26)
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n/an/an/an/a 187n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273225
PNG
(CHEMBL457836 | N-[(3Z)-7-Chloro-1-hexyl-2-oxo-1,2-...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2cccc(Cl)c12 |w:10.10|
Show InChI InChI=1S/C21H22ClN3O2/c1-2-3-4-8-14-25-19-16(12-9-13-17(19)22)18(21(25)27)23-24-20(26)15-10-6-5-7-11-15/h5-7,9-13H,2-4,8,14H2,1H3,(H,24,26)
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n/an/an/an/a 646n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273186
PNG
(CHEMBL456762 | N-[(3Z)-1-Hexyl-7-methyl-2-oxo-1,2-...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2cccc(C)c12 |w:10.10|
Show InChI InChI=1S/C22H25N3O2/c1-3-4-5-9-15-25-20-16(2)11-10-14-18(20)19(22(25)27)23-24-21(26)17-12-7-6-8-13-17/h6-8,10-14H,3-5,9,15H2,1-2H3,(H,24,26)
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n/an/an/an/a 84n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50273135
PNG
(CHEMBL504754 | N-[(3Z)-1-(1-Pentyl)-2-oxo-1,2-dihy...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C20H21N3O2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)21-22-19(24)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,22,24)
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n/an/an/an/a 314n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50273069
PNG
(CHEMBL453472 | tert-Butyl(2Z)-2-(1-hexyl-2-oxo-1,2...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)OC(C)(C)C)c2ccccc12 |w:10.10|
Show InChI InChI=1S/C19H27N3O3/c1-5-6-7-10-13-22-15-12-9-8-11-14(15)16(17(22)23)20-21-18(24)25-19(2,3)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,21,24)
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n/an/an/an/a 937n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50273100
PNG
(CHEMBL458492 | N-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccc(OC)cc2)c2ccccc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-8-15-25-19-10-7-6-9-18(19)20(22(25)27)23-24-21(26)16-11-13-17(28-2)14-12-16/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,24,26)
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n/an/an/an/a 852n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50273032
PNG
(CHEMBL457185 | N'-[(3Z)-1-(1-Hexyl)-2-oxo-1,2-dihy...)
Show SMILES CCCCCCN1C(=O)\C(=N/NC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3,(H,23,25)/b22-19-
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n/an/an/an/a 867n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273185
PNG
(CHEMBL456536 | N-[(3Z)-1-(4-Chlorobenzyl)-2-oxo-1,...)
Show SMILES Clc1ccc(CN2C(=O)C(=NNC(=O)c3ccccc3)c3ccccc23)cc1 |w:10.10|
Show InChI InChI=1S/C22H16ClN3O2/c23-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(22(26)28)24-25-21(27)16-6-2-1-3-7-16/h1-13H,14H2,(H,25,27)
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n/an/an/an/a 131n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273183
PNG
(CHEMBL514565 | N-[(3Z)-1-(Cyclohexylmethyl)-2-oxo-...)
Show SMILES O=C(NN=C1C(=O)N(CC2CCCCC2)c2ccccc12)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C22H23N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,24,26)
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n/an/an/an/a 9.80n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50273185
PNG
(CHEMBL456536 | N-[(3Z)-1-(4-Chlorobenzyl)-2-oxo-1,...)
Show SMILES Clc1ccc(CN2C(=O)C(=NNC(=O)c3ccccc3)c3ccccc23)cc1 |w:10.10|
Show InChI InChI=1S/C22H16ClN3O2/c23-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(22(26)28)24-25-21(27)16-6-2-1-3-7-16/h1-13H,14H2,(H,25,27)
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n/an/an/an/a 896n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273101
PNG
(CHEMBL456362 | N-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2cccc3ccccc23)c2ccccc12 |w:10.10|
Show InChI InChI=1S/C25H25N3O2/c1-2-3-4-9-17-28-22-16-8-7-14-21(22)23(25(28)30)26-27-24(29)20-15-10-12-18-11-5-6-13-19(18)20/h5-8,10-16H,2-4,9,17H2,1H3,(H,27,29)
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n/an/an/an/a 202n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273069
PNG
(CHEMBL453472 | tert-Butyl(2Z)-2-(1-hexyl-2-oxo-1,2...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)OC(C)(C)C)c2ccccc12 |w:10.10|
Show InChI InChI=1S/C19H27N3O3/c1-5-6-7-10-13-22-15-12-9-8-11-14(15)16(17(22)23)20-21-18(24)25-19(2,3)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,21,24)
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n/an/an/an/a 22.4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(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 |r|
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
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n/an/an/an/a 5n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50273033
PNG
(CHEMBL515205 | N'-[1-(1-Hexyl)-2-oxo-1,2-dihydro-3...)
Show SMILES CCCCCCN1C(=O)\C(=N/NC(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H25N3O2/c1-2-3-4-10-15-25-19-14-9-8-13-18(19)21(22(25)27)24-23-20(26)16-17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,23,26)/b24-21-
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n/an/an/an/a 459n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(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 |r|
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
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n/an/an/an/a 2.70n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273033
PNG
(CHEMBL515205 | N'-[1-(1-Hexyl)-2-oxo-1,2-dihydro-3...)
Show SMILES CCCCCCN1C(=O)\C(=N/NC(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H25N3O2/c1-2-3-4-10-15-25-19-14-9-8-13-18(19)21(22(25)27)24-23-20(26)16-17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,23,26)/b24-21-
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n/an/an/an/a 189n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273184
PNG
(CHEMBL456535 | N-[(3Z)-1-Benzyl-2-oxo-1,2-dihydro-...)
Show SMILES O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc12)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C22H17N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26)
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n/an/an/an/a 63.7n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272910
PNG
(CHEMBL455951 | N-[(3Z)-1-(1-Propyl)-2-oxo-1,2-dihy...)
Show SMILES CCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc12 |w:7.7|
Show InChI InChI=1S/C18H17N3O2/c1-2-12-21-15-11-7-6-10-14(15)16(18(21)23)19-20-17(22)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,22)
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n/an/an/an/a 201n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273134
PNG
(CHEMBL456803 | N-[(3Z)-1-(1-Butyl)-2-oxo-1,2-dihyd...)
Show SMILES CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc12 |w:8.8|
Show InChI InChI=1S/C19H19N3O2/c1-2-3-13-22-16-12-8-7-11-15(16)17(19(22)24)20-21-18(23)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,21,23)
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n/an/an/an/a 40.1n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273100
PNG
(CHEMBL458492 | N-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccc(OC)cc2)c2ccccc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-8-15-25-19-10-7-6-9-18(19)20(22(25)27)23-24-21(26)16-11-13-17(28-2)14-12-16/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,24,26)
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n/an/an/an/a 143n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50273183
PNG
(CHEMBL514565 | N-[(3Z)-1-(Cyclohexylmethyl)-2-oxo-...)
Show SMILES O=C(NN=C1C(=O)N(CC2CCCCC2)c2ccccc12)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C22H23N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,24,26)
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n/an/an/an/a 62.3n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273135
PNG
(CHEMBL504754 | N-[(3Z)-1-(1-Pentyl)-2-oxo-1,2-dihy...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C20H21N3O2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)21-22-19(24)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,22,24)
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n/an/an/an/a 240n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272989
PNG
(CHEMBL514406 | N'-[(3Z)-1-(2-Cyclohexylethyl)-2-ox...)
Show SMILES O=C(N\N=C1/C(=O)N(CCC2CCCCC2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-22(18-11-5-2-6-12-18)25-24-21-19-13-7-8-14-20(19)26(23(21)28)16-15-17-9-3-1-4-10-17/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,25,27)/b24-21-
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n/an/an/an/a 103n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273068
PNG
(CHEMBL515357 | N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)C2CCCCC2)c2ccccc12 |w:10.10|
Show InChI InChI=1S/C21H29N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h8-9,13-14,16H,2-7,10-12,15H2,1H3,(H,23,25)
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n/an/an/an/a 79.1n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%