Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50308567'   

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))	BDBM50308567 (CHEMBL592891 | N-(4-acetylphenyl)-2-(4-(7-methyl-2...) Show SMILES CCCn1c2nc(-c3ccc(OCC(=O)Nc4ccc(cc4)C(C)=O)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H31N5O5/c1-5-15-32-26-24(27(36)33(16-6-2)28(32)37)31(4)25(30-26)20-9-13-22(14-10-20)38-17-23(35)29-21-11-7-19(8-12-21)18(3)34/h7-14H,5-6,15-17H2,1-4H3,(H,29,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de M£laga Curated by ChEMBL					Assay Description Inhibition of adenosine A2B receptor				Bioorg Med Chem 18: 2081-8 (2010) Article DOI: 10.1016/j.bmc.2010.02.014 BindingDB Entry DOI: 10.7270/Q2QZ2B2K
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