Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50336980'   

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))	BDBM50336980 (CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cnco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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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