Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50408412'   

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))	BDBM50408412 (CHEMBL2113418) Show SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r| Show InChI InChI=1S/C13H18N6O4/c1-3-15-11(21)7-8(20)13(2,22)12(23-7)19-5-18-6-9(14)16-4-17-10(6)19/h4-5,7-8,12,20,22H,3H2,1-2H3,(H,15,21)(H2,14,16,17)/t7-,8+,12+,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes.				J Med Chem 41: 1708-15 (1998) Article DOI: 10.1021/jm9707737 BindingDB Entry DOI: 10.7270/Q2ZW1MKQ
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