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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.4
BDBM50561705

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

Found 3 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))
BDBM50561705
PNG
(CHEMBL4758188)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCCn3c2c(=O)n(C)c1=O
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Prolink1-tagged human GPR55 receptor expressed in CHO cells assessed as inhibition of lysophosphatidylinositol-induced beta ar...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00208
BindingDB Entry DOI: 10.7270/Q2PZ5DJH
More data for this
Ligand-Target Pair
N-arachidonyl glycine receptor


(Homo sapiens (Human))
BDBM50561705
PNG
(CHEMBL4758188)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCCn3c2c(=O)n(C)c1=O
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 454n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink1-tagged human GPR18 receptor expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by b...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00208
BindingDB Entry DOI: 10.7270/Q2PZ5DJH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50561705
PNG
(CHEMBL4758188)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCCn3c2c(=O)n(C)c1=O
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at Prolink1-tagged human GPR55 receptor expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by b...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00208
BindingDB Entry DOI: 10.7270/Q2PZ5DJH
More data for this
Ligand-Target Pair