Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50041590'   

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))	BDBM50041590 (6-Phenyl-3-propyl-1,5-dihydro-pyrrolo[3,2-d]pyrimi...) Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C15H15N3O2/c1-2-8-18-14(19)13-12(17-15(18)20)9-11(16-13)10-6-4-3-5-7-10/h3-7,9,16H,2,8H2,1H3,(H,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
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