Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50458354'   

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))	BDBM50458354 (CHEMBL4216880) Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N Show InChI InChI=1S/C21H18N6OS/c22-9-16-19(14-3-5-15(6-4-14)28-11-13-1-2-13)17(10-23)21(27-20(16)24)29-12-18-25-7-8-26-18/h3-8,13H,1-2,11-12H2,(H2,24,27)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay				Eur J Med Chem 150: 127-139 (2018) Article DOI: 10.1016/j.ejmech.2018.02.081 BindingDB Entry DOI: 10.7270/Q2NS0XHB
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