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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.3
BDBM50434878

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
N-arachidonyl glycine receptor


(Homo sapiens (Human))
BDBM50434878
PNG
(CHEMBL2387536)
Show SMILES COc1c(C)c(C)c2oc(=O)c(Cc3ccc(F)cc3)cc2c1C
Show InChI InChI=1S/C20H19FO3/c1-11-12(2)19-17(13(3)18(11)23-4)10-15(20(22)24-19)9-14-5-7-16(21)8-6-14/h5-8,10H,9H2,1-4H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR18 transfected in CHO cells assessed as delta9-THC-induced beta-arrestin recruitment incubated 60 mins prior to delta...


J Med Chem 56: 4798-810 (2013)


Article DOI: 10.1021/jm4005175
BindingDB Entry DOI: 10.7270/Q2GM88QX
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50434878
PNG
(CHEMBL2387536)
Show SMILES COc1c(C)c(C)c2oc(=O)c(Cc3ccc(F)cc3)cc2c1C
Show InChI InChI=1S/C20H19FO3/c1-11-12(2)19-17(13(3)18(11)23-4)10-15(20(22)24-19)9-14-5-7-16(21)8-6-14/h5-8,10H,9H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


J Med Chem 56: 4798-810 (2013)


Article DOI: 10.1021/jm4005175
BindingDB Entry DOI: 10.7270/Q2GM88QX
More data for this
Ligand-Target Pair