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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 = 'BDBM50303551'   
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))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
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PC cid
PC sid
UniChem
Article
PubMed
0.180n/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


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.970n/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


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0700n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP production by cell based assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
More data for this
Ligand-Target Pair