Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50268085'   

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))	BDBM50268085 (CHEMBL490262 | CHEMBL521280 | N-(2-hydroxyethyl)-2...) Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1 Show InChI InChI=1S/C20H24N4O5/c1-3-9-24-19(27)18-16(23(2)20(24)28)11-15(22-18)13-4-6-14(7-5-13)29-12-17(26)21-8-10-25/h4-7,11,22,25H,3,8-10,12H2,1-2H3,(H,21,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2B receptor				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268085 (CHEMBL490262 | CHEMBL521280 | N-(2-hydroxyethyl)-2...) Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1 Show InChI InChI=1S/C20H24N4O5/c1-3-9-24-19(27)18-16(23(2)20(24)28)11-15(22-18)13-4-6-14(7-5-13)29-12-17(26)21-8-10-25/h4-7,11,22,25H,3,8-10,12H2,1-2H3,(H,21,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2B receptor				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair