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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM21311'   
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))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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4.40n/an/an/a 17.5n/an/an/an/a



Abbott Laboratories



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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4.40n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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4.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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n/an/a 0.770n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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PC cid
PC sid
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Article
PubMed
n/an/a 0.770n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


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


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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n/an/an/an/a 16n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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PC cid
PC sid
UniChem
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PubMed
n/an/an/an/a 0.520n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
KEGG

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PC cid
PC sid
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Article
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n/an/an/an/a 1.60n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP production by cell based assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair