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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50090958'   
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))
BDBM50090958
PNG
(CHEMBL3582011)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF
Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29)
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Article
PubMed
2.07E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090958
PNG
(CHEMBL3582011)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF
Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29)
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Article
PubMed
5.26E+3n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090958
PNG
(CHEMBL3582011)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF
Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29)
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Article
PubMed
n/an/an/an/a 444n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090958
PNG
(CHEMBL3582011)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF
Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29)
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair