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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50365315'   
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))
BDBM50365315
PNG
(CHEMBL1955921)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)no1
Show InChI InChI=1S/C24H21F6N7O4/c1-3-5-36-20-18(21(38)37(6-4-2)22(36)39)33-19(34-20)14-9-16(35-41-14)40-10-15-31-13-8-11(23(25,26)27)7-12(17(13)32-15)24(28,29)30/h7-9H,3-6,10H2,1-2H3,(H,31,32)(H,33,34)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
76n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50365315
PNG
(CHEMBL1955921)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)no1
Show InChI InChI=1S/C24H21F6N7O4/c1-3-5-36-20-18(21(38)37(6-4-2)22(36)39)33-19(34-20)14-9-16(35-41-14)40-10-15-31-13-8-11(23(25,26)27)7-12(17(13)32-15)24(28,29)30/h7-9H,3-6,10H2,1-2H3,(H,31,32)(H,33,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 197n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair