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PubMed code 19115816

Compile data set for download or QSAR
Found 38 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))
BDBM50265741
PNG
(CHEMBL523727 | N-(1-(cyclohexylmethyl)-2-((2,3-dih...)
Show SMILES CN(c1ccc2n(CC3CCCCC3)c(Cc3ccc4OCCc4c3)nc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H33N3O3S/c1-32(37(34,35)26-10-6-3-7-11-26)25-13-14-28-27(20-25)31-30(33(28)21-22-8-4-2-5-9-22)19-23-12-15-29-24(18-23)16-17-36-29/h3,6-7,10-15,18,20,22H,2,4-5,8-9,16-17,19,21H2,1H3
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1.20n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor by competition binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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89.9n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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89.9n/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] 2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol from human CB2 receptor expressed CHO-K1 cel...


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265684
PNG
(CHEMBL496371 | N'-[(3Z)-1-(Cyclohexylmethyl)-6-met...)
Show SMILES COc1ccc2C(=NNC(=O)C3CCCCC3)C(=O)N(CC3CCCCC3)c2c1 |w:7.7|
Show InChI InChI=1S/C23H31N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h12-14,16-17H,2-11,15H2,1H3,(H,25,27)
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n/an/an/an/a 71.6n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265642
PNG
(CHEMBL498215 | N'-[(3Z)-1-(2-Cyclohexylethyl)-6-me...)
Show SMILES COc1ccc2C(=NNC(=O)c3ccccc3)C(=O)N(CCC3CCCCC3)c2c1 |w:7.7|
Show InChI InChI=1S/C24H27N3O3/c1-30-19-12-13-20-21(16-19)27(15-14-17-8-4-2-5-9-17)24(29)22(20)25-26-23(28)18-10-6-3-7-11-18/h3,6-7,10-13,16-17H,2,4-5,8-9,14-15H2,1H3,(H,26,28)
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n/an/an/an/a 540n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265619
PNG
(CHEMBL495738 | N'-[(3Z)-1-(Cyclohexylmethyl)-6-met...)
Show SMILES COc1ccc2C(=NNC(=O)c3ccccc3)C(=O)N(CC3CCCCC3)c2c1 |w:7.7|
Show InChI InChI=1S/C23H25N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3,(H,25,27)
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n/an/an/an/a 61.2n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265646
PNG
(CHEMBL498766 | tert-Butyl-(2Z)-2-(6-methoxy-1-pent...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)OC(C)(C)C)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C19H27N3O4/c1-6-7-8-11-22-15-12-13(25-5)9-10-14(15)16(17(22)23)20-21-18(24)26-19(2,3)4/h9-10,12H,6-8,11H2,1-5H3,(H,21,24)
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n/an/an/an/a 15.9n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265645
PNG
(2-Hydroxy-N'-[(3Z)-6-methoxy-1-pentyl-2-oxo-1,2-di...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)C(C)(C)O)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C18H25N3O4/c1-5-6-7-10-21-14-11-12(25-4)8-9-13(14)15(16(21)22)19-20-17(23)18(2,3)24/h8-9,11,24H,5-7,10H2,1-4H3,(H,20,23)
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n/an/an/an/a 14.7n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265618
PNG
(CHEMBL495533 | N'-[(3Z)-1-Butyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:8.8|
Show InChI InChI=1S/C20H21N3O3/c1-3-4-12-23-17-13-15(26-2)10-11-16(17)18(20(23)25)21-22-19(24)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
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n/an/an/an/a 85n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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n/an/an/an/a 88.2n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265645
PNG
(2-Hydroxy-N'-[(3Z)-6-methoxy-1-pentyl-2-oxo-1,2-di...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)C(C)(C)O)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C18H25N3O4/c1-5-6-7-10-21-14-11-12(25-4)8-9-13(14)15(16(21)22)19-20-17(23)18(2,3)24/h8-9,11,24H,5-7,10H2,1-4H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265681
PNG
(2-Cyclohexyl-N'-[(3Z)-6-methoxy-1-pentyl-2-oxo-1,2...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CC2CCCCC2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C22H31N3O3/c1-3-4-8-13-25-19-15-17(28-2)11-12-18(19)21(22(25)27)24-23-20(26)14-16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,23,26)
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n/an/an/an/a 43n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265680
PNG
(CHEMBL495966 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CC(C)C)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C19H27N3O3/c1-5-6-7-10-22-16-12-14(25-4)8-9-15(16)18(19(22)24)21-20-17(23)11-13(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,23)
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n/an/an/an/a 11.7n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265620
PNG
(CHEMBL522382 | N'-[(3Z)-1-Benzyl-6-methoxy-2-oxo-1...)
Show SMILES COc1ccc2C(=NNC(=O)c3ccccc3)C(=O)N(Cc3ccccc3)c2c1 |w:7.7|
Show InChI InChI=1S/C23H19N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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n/an/an/an/a 10.4n/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 CHO cells by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265646
PNG
(CHEMBL498766 | tert-Butyl-(2Z)-2-(6-methoxy-1-pent...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)OC(C)(C)C)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C19H27N3O4/c1-6-7-8-11-22-15-12-13(25-5)9-10-14(15)16(17(22)23)20-21-18(24)26-19(2,3)4/h9-10,12H,6-8,11H2,1-5H3,(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265619
PNG
(CHEMBL495738 | N'-[(3Z)-1-(Cyclohexylmethyl)-6-met...)
Show SMILES COc1ccc2C(=NNC(=O)c3ccccc3)C(=O)N(CC3CCCCC3)c2c1 |w:7.7|
Show InChI InChI=1S/C23H25N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3,(H,25,27)
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n/an/an/an/a 18n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265644
PNG
(CHEMBL525380 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)C2CCCCC2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C21H29N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265683
PNG
(CHEMBL496370 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)C(C)(C)C)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C19H27N3O3/c1-6-7-8-11-22-15-12-13(25-5)9-10-14(15)16(17(22)23)20-21-18(24)19(2,3)4/h9-10,12H,6-8,11H2,1-5H3,(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265681
PNG
(2-Cyclohexyl-N'-[(3Z)-6-methoxy-1-pentyl-2-oxo-1,2...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CC2CCCCC2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C22H31N3O3/c1-3-4-8-13-25-19-15-17(28-2)11-12-18(19)21(22(25)27)24-23-20(26)14-16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265680
PNG
(CHEMBL495966 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CC(C)C)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C19H27N3O3/c1-5-6-7-10-22-16-12-14(25-4)8-9-15(16)18(19(22)24)21-20-17(23)11-13(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
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 8.66n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265682
PNG
(CHEMBL524089 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CN2CCOCC2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C20H28N4O4/c1-3-4-5-8-24-17-13-15(27-2)6-7-16(17)19(20(24)26)22-21-18(25)14-23-9-11-28-12-10-23/h6-7,13H,3-5,8-12,14H2,1-2H3,(H,21,25)
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n/an/an/an/a 13.3n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265620
PNG
(CHEMBL522382 | N'-[(3Z)-1-Benzyl-6-methoxy-2-oxo-1...)
Show SMILES COc1ccc2C(=NNC(=O)c3ccccc3)C(=O)N(Cc3ccccc3)c2c1 |w:7.7|
Show InChI InChI=1S/C23H19N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,27)
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n/an/an/an/a 102n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265618
PNG
(CHEMBL495533 | N'-[(3Z)-1-Butyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:8.8|
Show InChI InChI=1S/C20H21N3O3/c1-3-4-12-23-17-13-15(26-2)10-11-16(17)18(20(23)25)21-22-19(24)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265741
PNG
(CHEMBL523727 | N-(1-(cyclohexylmethyl)-2-((2,3-dih...)
Show SMILES CN(c1ccc2n(CC3CCCCC3)c(Cc3ccc4OCCc4c3)nc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H33N3O3S/c1-32(37(34,35)26-10-6-3-7-11-26)25-13-14-28-27(20-25)31-30(33(28)21-22-8-4-2-5-9-22)19-23-12-15-29-24(18-23)16-17-36-29/h3,6-7,10-15,18,20,22H,2,4-5,8-9,16-17,19,21H2,1H3
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n/an/an/an/a 2.20n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at CB2 receptor


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265617
PNG
(CHEMBL523084 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C21H23N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,23,25)
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n/an/an/an/a 5.80n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 76.6n/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 CHO cells by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
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 10.3n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265644
PNG
(CHEMBL525380 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)C2CCCCC2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C21H29N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,25)
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n/an/an/an/a 28.7n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265683
PNG
(CHEMBL496370 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)C(C)(C)C)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C19H27N3O3/c1-6-7-8-11-22-15-12-13(25-5)9-10-14(15)16(17(22)23)20-21-18(24)19(2,3)4/h9-10,12H,6-8,11H2,1-5H3,(H,21,24)
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n/an/an/an/a 10n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265643
PNG
(CHEMBL498417 | N'-[(3Z)-6-Methoxy-1-(2-methoxyethy...)
Show SMILES COCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:8.8|
Show InChI InChI=1S/C19H19N3O4/c1-25-11-10-22-16-12-14(26-2)8-9-15(16)17(19(22)24)20-21-18(23)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,23)
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n/an/an/an/a 492n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265643
PNG
(CHEMBL498417 | N'-[(3Z)-6-Methoxy-1-(2-methoxyethy...)
Show SMILES COCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:8.8|
Show InChI InChI=1S/C19H19N3O4/c1-25-11-10-22-16-12-14(26-2)8-9-15(16)17(19(22)24)20-21-18(23)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265617
PNG
(CHEMBL523084 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C21H23N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,23,25)
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n/an/an/an/a 263n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265642
PNG
(CHEMBL498215 | N'-[(3Z)-1-(2-Cyclohexylethyl)-6-me...)
Show SMILES COc1ccc2C(=NNC(=O)c3ccccc3)C(=O)N(CCC3CCCCC3)c2c1 |w:7.7|
Show InChI InChI=1S/C24H27N3O3/c1-30-19-12-13-20-21(16-19)27(15-14-17-8-4-2-5-9-17)24(29)22(20)25-26-23(28)18-10-6-3-7-11-18/h3,6-7,10-13,16-17H,2,4-5,8-9,14-15H2,1H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265684
PNG
(CHEMBL496371 | N'-[(3Z)-1-(Cyclohexylmethyl)-6-met...)
Show SMILES COc1ccc2C(=NNC(=O)C3CCCCC3)C(=O)N(CC3CCCCC3)c2c1 |w:7.7|
Show InChI InChI=1S/C23H31N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h12-14,16-17H,2-11,15H2,1H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265682
PNG
(CHEMBL524089 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CN2CCOCC2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C20H28N4O4/c1-3-4-5-8-24-17-13-15(27-2)6-7-16(17)19(20(24)26)22-21-18(25)14-23-9-11-28-12-10-23/h6-7,13H,3-5,8-12,14H2,1-2H3,(H,21,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%