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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 55' and Ligand = 'BDBM50449593'   
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))
BDBM50449593
PNG
(CHEMBL4163505)
Show SMILES CSC1=NC(=O)\C(N1)=C\c1cccc(OCc2ccc(Cl)cc2)c1 |t:2|
Show InChI InChI=1S/C18H15ClN2O2S/c1-24-18-20-16(17(22)21-18)10-13-3-2-4-15(9-13)23-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H,20,21,22)/b16-10-
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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 recombinant human GPR55 expressed in CHO cells assessed as inhibition of lysophosphatidylinositol-induced beta-arrestin recrui...


Eur J Med Chem 155: 381-397 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.050
BindingDB Entry DOI: 10.7270/Q22F7R1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50449593
PNG
(CHEMBL4163505)
Show SMILES CSC1=NC(=O)\C(N1)=C\c1cccc(OCc2ccc(Cl)cc2)c1 |t:2|
Show InChI InChI=1S/C18H15ClN2O2S/c1-24-18-20-16(17(22)21-18)10-13-3-2-4-15(9-13)23-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H,20,21,22)/b16-10-
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



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR55 expressed in CHO cells assessed as increase in beta-arrestin recruitment incubated for 60 mins measured f...


Eur J Med Chem 155: 381-397 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.050
BindingDB Entry DOI: 10.7270/Q22F7R1X
More data for this
Ligand-Target Pair