new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50241444'   
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))
BDBM50241444
PNG
(6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 9780-9 (2008)


Article DOI: 10.1016/j.bmc.2008.09.067
BindingDB Entry DOI: 10.7270/Q21Z448B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50241444
PNG
(6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair