Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50336987'   

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))	BDBM50336987 (4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl...) Show SMILES Fc1ccc(cc1)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H13FN4O2/c21-15-5-3-14(4-6-15)20(26)25-17-12-23-18(13-7-9-22-10-8-13)19(24-17)16-2-1-11-27-16/h1-12H,(H,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
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