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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 = 'BDBM50268209'   
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))
BDBM50268209
PNG
(8-(4-(4-(4-Methoxybenzyl)piperazine-1-sulfonyl)phe...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C26H30N6O5S/c1-3-12-32-25(33)22-24(29-26(32)34)28-23(27-22)19-6-10-21(11-7-19)38(35,36)31-15-13-30(14-16-31)17-18-4-8-20(37-2)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,27,28)(H,29,34)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.944n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50268209
PNG
(8-(4-(4-(4-Methoxybenzyl)piperazine-1-sulfonyl)phe...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C26H30N6O5S/c1-3-12-32-25(33)22-24(29-26(32)34)28-23(27-22)19-6-10-21(11-7-19)38(35,36)31-15-13-30(14-16-31)17-18-4-8-20(37-2)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,27,28)(H,29,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16.2n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair