Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50188562'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50188562 (1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1 Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells				J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG
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