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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 = 'BDBM50090952'   
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


(MOUSE)
BDBM50090952
PNG
(CHEMBL3582023)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)C1CC1
Show InChI InChI=1S/C21H25F2N5O3/c1-20(2,19-27-26-17(31-19)13-5-6-13)25-16(29)14-7-8-15(28-10-21(22,23)11-28)18(24-14)30-9-12-3-4-12/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,29)
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PubMed
>1.00E+4n/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))
BDBM50090952
PNG
(CHEMBL3582023)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)C1CC1
Show InChI InChI=1S/C21H25F2N5O3/c1-20(2,19-27-26-17(31-19)13-5-6-13)25-16(29)14-7-8-15(28-10-21(22,23)11-28)18(24-14)30-9-12-3-4-12/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,29)
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PubMed
>1.00E+4n/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


(Homo sapiens (Human))
BDBM50090952
PNG
(CHEMBL3582023)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)C1CC1
Show InChI InChI=1S/C21H25F2N5O3/c1-20(2,19-27-26-17(31-19)13-5-6-13)25-16(29)14-7-8-15(28-10-21(22,23)11-28)18(24-14)30-9-12-3-4-12/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,29)
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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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090952
PNG
(CHEMBL3582023)
Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)C1CC1
Show InChI InChI=1S/C21H25F2N5O3/c1-20(2,19-27-26-17(31-19)13-5-6-13)25-16(29)14-7-8-15(28-10-21(22,23)11-28)18(24-14)30-9-12-3-4-12/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,29)
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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 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