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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50395138'   
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))
BDBM50395138
PNG
(CHEMBL2163928)
Show SMILES CC(C)C[C@@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C26H32N2O3/c1-15(2)6-19-14-31-22-5-3-4-20-23(22)28(19)13-21(24(20)29)25(30)27-26-10-16-7-17(11-26)9-18(8-16)12-26/h3-5,13,15-19H,6-12,14H2,1-2H3,(H,27,30)/t16?,17?,18?,19-,26?/m1/s1
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Article
PubMed
9.24n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395138
PNG
(CHEMBL2163928)
Show SMILES CC(C)C[C@@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C26H32N2O3/c1-15(2)6-19-14-31-22-5-3-4-20-23(22)28(19)13-21(24(20)29)25(30)27-26-10-16-7-17(11-26)9-18(8-16)12-26/h3-5,13,15-19H,6-12,14H2,1-2H3,(H,27,30)/t16?,17?,18?,19-,26?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.2n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395138
PNG
(CHEMBL2163928)
Show SMILES CC(C)C[C@@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C26H32N2O3/c1-15(2)6-19-14-31-22-5-3-4-20-23(22)28(19)13-21(24(20)29)25(30)27-26-10-16-7-17(11-26)9-18(8-16)12-26/h3-5,13,15-19H,6-12,14H2,1-2H3,(H,27,30)/t16?,17?,18?,19-,26?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair