Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50410720'   

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))	BDBM50410720 (CHEMBL379688) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(OC)nc2)cc1 Show InChI InChI=1S/C26H29N5O5/c1-4-12-30-21-14-20(29-24(21)25(33)31(13-5-2)26(30)34)17-6-9-19(10-7-17)36-16-22(32)28-18-8-11-23(35-3)27-15-18/h6-11,14-15,29H,4-5,12-13,16H2,1-3H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.7	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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