Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50322844'   

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))	BDBM50322844 (3-ethyl-1-propyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cn[nH]c1 Show InChI InChI=1S/C13H16N6O2/c1-3-5-19-12(20)9-11(18(4-2)13(19)21)17-10(16-9)8-6-14-15-7-8/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50322844 (3-ethyl-1-propyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cn[nH]c1 Show InChI InChI=1S/C13H16N6O2/c1-3-5-19-12(20)9-11(18(4-2)13(19)21)17-10(16-9)8-6-14-15-7-8/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2B receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair