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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50493247'   
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))
BDBM50493247
PNG
(CHEMBL2420248)
Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](\C=C\c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)n1)C2(C)C |r,TLB:8:7:6:2.3|
Show InChI InChI=1S/C30H35ClN2/c1-20-6-8-22(9-7-20)19-33-27(23-10-12-26(31)21(2)16-23)17-25(32-33)11-13-28-29(3,4)24-14-15-30(28,5)18-24/h6-13,16-17,24,28H,14-15,18-19H2,1-5H3/b13-11+/t24-,28-,30+/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
527n/an/an/an/an/an/an/an/a



University of Texas-Pan American

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay


J Med Chem 56: 6593-612 (2013)


Article DOI: 10.1021/jm400070u
BindingDB Entry DOI: 10.7270/Q2BG2RXH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50493247
PNG
(CHEMBL2420248)
Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](\C=C\c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)n1)C2(C)C |r,TLB:8:7:6:2.3|
Show InChI InChI=1S/C30H35ClN2/c1-20-6-8-22(9-7-20)19-33-27(23-10-12-26(31)21(2)16-23)17-25(32-33)11-13-28-29(3,4)24-14-15-30(28,5)18-24/h6-13,16-17,24,28H,14-15,18-19H2,1-5H3/b13-11+/t24-,28-,30+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.30n/an/an/an/a



University of Texas-Pan American

Curated by ChEMBL


Assay Description
Antagonist activity at CB2 receptor in HEK293 cells assessed as increase in CP-55,940 EC50 measuring inhibition of forskolin-stimulated cAMP accumula...


J Med Chem 56: 6593-612 (2013)


Article DOI: 10.1021/jm400070u
BindingDB Entry DOI: 10.7270/Q2BG2RXH
More data for this
Ligand-Target Pair