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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.5
BDBM50434881

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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50434881
PNG
(CHEMBL2181545)
Show SMILES CCCCC1(CCCCC1)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1
Show InChI InChI=1S/C28H34O4/c1-4-5-13-28(14-9-6-10-15-28)22-18-25(31-3)23-17-21(27(29)32-26(23)19-22)16-20-11-7-8-12-24(20)30-2/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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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 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
N-arachidonyl glycine receptor


(Homo sapiens (Human))
BDBM50434881
PNG
(CHEMBL2181545)
Show SMILES CCCCC1(CCCCC1)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1
Show InChI InChI=1S/C28H34O4/c1-4-5-13-28(14-9-6-10-15-28)22-18-25(31-3)23-17-21(27(29)32-26(23)19-22)16-20-11-7-8-12-24(20)30-2/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3
Reactome pathway
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