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 = 'BDBM50511941'   
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))		BDBM50511941
PNG
(CHEMBL4537196)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN6O4S/c1-3-12-32-24(33)21-23(29(2)25(32)34)28-22(27-21)17-4-10-20(11-5-17)37(35,36)31-15-13-30(14-16-31)19-8-6-18(26)7-9-19/h4-11H,3,12-16H2,1-2H3,(H,27,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.90n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...

J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
BindingDB Entry DOI: 10.7270/Q22Z18VS
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Mus musculus)		BDBM50511941
PNG
(CHEMBL4537196)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN6O4S/c1-3-12-32-24(33)21-23(29(2)25(32)34)28-22(27-21)17-4-10-20(11-5-17)37(35,36)31-15-13-30(14-16-31)19-8-6-18(26)7-9-19/h4-11H,3,12-16H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.30n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...

J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
BindingDB Entry DOI: 10.7270/Q22Z18VS
More data for this
Ligand-Target Pair