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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine Receptor A2B' and Monomerid = 50202577   
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 A2b


(Homo sapiens (Human))
BDBM50202577
PNG
(1-deoxy-1-{2-chloro-6-[N'-(furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O6/c1-2-19-15(29)11-9(26)10(27)16(31-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-30-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 210n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP levels


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50202577
PNG
(1-deoxy-1-{2-chloro-6-[N'-(furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O6/c1-2-19-15(29)11-9(26)10(27)16(31-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-30-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.76E+6n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase


J Med Chem 51: 2088-99 (2008)


Article DOI: 10.1021/jm701442d
BindingDB Entry DOI: 10.7270/Q2R49RNV
More data for this
Ligand-Target Pair