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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 = 'BDBM50531434'   
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))		BDBM50531434
PNG
(CHEMBL4458223)
Show SMILES COCCn1c2sc(C(O)C3CC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C22H26N2O4S/c1-14-17-20(26)23(11-10-15-6-4-3-5-7-15)22(27)24(12-13-28-2)21(17)29-19(14)18(25)16-8-9-16/h3-7,16,18,25H,8-13H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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