Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM82023'   

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))	BDBM82023 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM82023 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [125I]ABOPX from human recombinant adenosine A2B receptor expressed in CHO cells				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM82023 (4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity for human HEK-293 adenosine A2B receptor using [125I]-ABOPX in CHO cell membranes				J Med Chem 47: 1031-43 (2004) Article DOI: 10.1021/jm0310030 BindingDB Entry DOI: 10.7270/Q2J38S05
					More data for this Ligand-Target Pair