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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50379695'   
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))
BDBM50379695
PNG
(CHEMBL2010898)
Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11|
Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
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20.9n/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))
BDBM50379695
PNG
(CHEMBL2010898)
Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11|
Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
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PC sid
UniChem
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33.9n/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))
BDBM50379695
PNG
(CHEMBL2010898)
Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11|
Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
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n/an/a 1.95n/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


(Rattus norvegicus (Rat))
BDBM50379695
PNG
(CHEMBL2010898)
Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11|
Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.33n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50379695
PNG
(CHEMBL2010898)
Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11|
Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70.8n/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))
BDBM50379695
PNG
(CHEMBL2010898)
Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11|
Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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