Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50086171'   

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))	BDBM50086171 (4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(N)=O)cc1 Show InChI InChI=1S/C26H28N6O5/c1-3-13-31-24-21(25(35)32(14-4-2)26(31)36)29-23(30-24)17-7-11-19(12-8-17)37-15-20(33)28-18-9-5-16(6-10-18)22(27)34/h5-12H,3-4,13-15H2,1-2H3,(H2,27,34)(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
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