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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50160434'   
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))
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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31n/an/an/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Inverse agonist activity at CB2 receptor (unknown origin)


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
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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31.2n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cannabinoid CB2 receptor


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
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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31.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
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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31.2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human cannabinoid receptor 2 was determined by using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
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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35.8n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
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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36n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
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/a 7.20E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at cannabinoid CB2 receptor


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
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
BindingDB Entry DOI: 10.7270/Q20G3M2X
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 603n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...


Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair