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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50531462'   
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))		BDBM50531462
PNG
(CHEMBL4439247)
Show SMILES Cc1csc2n(CC(=O)Nc3cc(Cl)ccc3C(O)=O)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C24H20ClN3O5S/c1-14-13-34-22-20(14)21(30)27(10-9-15-5-3-2-4-6-15)24(33)28(22)12-19(29)26-18-11-16(25)7-8-17(18)23(31)32/h2-8,11,13H,9-10,12H2,1H3,(H,26,29)(H,31,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair