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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2b receptor' and Ligand = 'BDBM50211685'   
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 A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 349n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Activity at mouse A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced IL6 production in Swiss mouse fibroblasts after 24 hrs by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair