Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50186593'   

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))	BDBM50186593 (2-(4-chlorophenyl)-6-phenyl-9H-purine | CHEMBL2055...) Show SMILES Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells				J Med Chem 49: 2861-7 (2006) Article DOI: 10.1021/jm050640i BindingDB Entry DOI: 10.7270/Q2348JZ4
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