Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50410644'   

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))	BDBM50410644 (CHEMBL439868) Show SMILES CC(=O)c1ccc(NC(=O)COc2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C24H22N4O5/c1-14(29)15-4-8-17(9-5-15)25-21(30)13-33-18-10-6-16(7-11-18)19-12-20-22(26-19)23(31)28(3)24(32)27(20)2/h4-12,26H,13H2,1-3H3,(H,25,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to recombinant human adenosine A2B receptor				J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5
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