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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50269832'   
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
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50269832
PNG
(CHEMBL4065991)
Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged human A2 receptor expressed in HEK cells by FRET-binding assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50269832
PNG
(CHEMBL4065991)
Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged human A2 receptor expressed in HEK cells by FRET-binding assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair