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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50001766   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(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)
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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 receptor A2b


(Mus musculus)
BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay


Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Mus musculus)
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity at mouse adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced increase of intracellular cAMP leve...


ACS Med Chem Lett 2: 213-218 (2011)


Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
MCE
PC cid
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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