Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50133360'   

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))	BDBM50133360 (CHEMBL336217 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from human adenosine A2A receptors expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
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