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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 = 'BDBM50133543'   
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))
BDBM50133543
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1|
Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
17.6n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133543
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1|
Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
18n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 using CP55,940 as radioligand in HEK293 EBNA cells


Bioorg Med Chem Lett 13: 3487-90 (2003)


BindingDB Entry DOI: 10.7270/Q2251HMM
More data for this
Ligand-Target Pair