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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50379694'   
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))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:14:13:21.15.16:18,THB:11:13:21.15.16:18,14:15:18:20.13|
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
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5.62n/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 after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:14:13:21.15.16:18,THB:11:13:21.15.16:18,14:15:18:20.13|
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
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PC sid
UniChem
Article
PubMed
46.8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from rat recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:14:13:21.15.16:18,THB:11:13:21.15.16:18,14:15:18:20.13|
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
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PC sid
UniChem
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n/an/a 0.200n/an/an/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 after 20 min...


Bioorg Med Chem Lett 22: 2604-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:14:13:21.15.16:18,THB:11:13:21.15.16:18,14:15:18:20.13|
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
PDB

Reactome pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells co-expressing chimeric Gaq/o protein by FLIPR assay


Bioorg Med Chem Lett 22: 2604-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.121
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:14:13:21.15.16:18,THB:11:13:21.15.16:18,14:15:18:20.13|
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.55n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins ...


Bioorg Med Chem Lett 22: 2604-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.121
More data for this
Ligand-Target Pair