Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50256418'   

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 A2a (Homo sapiens (Human))	BDBM50256418 (3-(5-amino-7-((2-(4-(4-(2-methoxyethoxy)phenyl)pip...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C28H33N9O2/c1-34(10-11-35-12-14-36(15-13-35)23-6-8-24(9-7-23)39-17-16-38-2)25-19-26-31-27(33-37(26)28(30)32-25)22-5-3-4-21(18-22)20-29/h3-9,18-19H,10-17H2,1-2H3,(H2,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 967-71 (2009) Article DOI: 10.1016/j.bmcl.2008.11.075 BindingDB Entry DOI: 10.7270/Q2CC10KT
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