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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50257851'   
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))
BDBM50257851
PNG
((S)-4-((2',3'-dichlorobiphenyl-4-yl)methyl)-2-phen...)
Show SMILES Clc1cccc(c1Cl)-c1ccc(CN2CCO[C@H](C2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H21Cl2NO/c24-21-8-4-7-20(23(21)25)18-11-9-17(10-12-18)15-26-13-14-27-22(16-26)19-5-2-1-3-6-19/h1-12,22H,13-16H2/t22-/m1/s1
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Article
PubMed
104n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Win55212 form human CB2 receptor transfected in HEK cells


Bioorg Med Chem Lett 19: 1604-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.033
BindingDB Entry DOI: 10.7270/Q2K937DD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50257851
PNG
((S)-4-((2',3'-dichlorobiphenyl-4-yl)methyl)-2-phen...)
Show SMILES Clc1cccc(c1Cl)-c1ccc(CN2CCO[C@H](C2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H21Cl2NO/c24-21-8-4-7-20(23(21)25)18-11-9-17(10-12-18)15-26-13-14-27-22(16-26)19-5-2-1-3-6-19/h1-12,22H,13-16H2/t22-/m1/s1
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Article
PubMed
312n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 form human CB2 receptor transfected in HEK cells


Bioorg Med Chem Lett 19: 1604-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.033
BindingDB Entry DOI: 10.7270/Q2K937DD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50257851
PNG
((S)-4-((2',3'-dichlorobiphenyl-4-yl)methyl)-2-phen...)
Show SMILES Clc1cccc(c1Cl)-c1ccc(CN2CCO[C@H](C2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H21Cl2NO/c24-21-8-4-7-20(23(21)25)18-11-9-17(10-12-18)15-26-13-14-27-22(16-26)19-5-2-1-3-6-19/h1-12,22H,13-16H2/t22-/m1/s1
PDB

Reactome pathway
KEGG

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 1604-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.033
BindingDB Entry DOI: 10.7270/Q2K937DD
More data for this
Ligand-Target Pair