Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50202993'   

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))	BDBM50202993 (2-furan-2-yl-7-[2-(4-phenyl-piperazin-1-yl)-ethyl]...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23N9O/c23-22-26-20-17(21-25-19(27-31(21)22)18-7-4-14-32-18)15-24-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26)	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	1.60	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 Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
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Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50202993 (2-furan-2-yl-7-[2-(4-phenyl-piperazin-1-yl)-ethyl]...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23N9O/c23-22-26-20-17(21-25-19(27-31(21)22)18-7-4-14-32-18)15-24-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 (nM) values of the example compound HZ10126 and several reference compounds against the rat A2A receptor were measured in an in vitro assay,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XD14X8
					More data for this Ligand-Target Pair