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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 = 'BDBM50379693'   
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


(Rattus norvegicus (Rat))
BDBM50379693
PNG
(CHEMBL2010905)
Show SMILES CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2COCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.37n/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))
BDBM50379693
PNG
(CHEMBL2010905)
Show SMILES CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2COCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
91.2n/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


(Homo sapiens (Human))
BDBM50379693
PNG
(CHEMBL2010905)
Show SMILES CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2COCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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))
BDBM50379693
PNG
(CHEMBL2010905)
Show SMILES CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2COCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52.5n/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))
BDBM50379693
PNG
(CHEMBL2010905)
Show SMILES CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2COCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-6-8-20-15(22)13-11-7-9-24-10-12(11)25-17(13)21-16(23)14-18(2,3)19(14,4)5/h14H,6-10H2,1-5H3,(H,20,22)(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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