Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50152077'   

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))	BDBM50152077 (1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...) Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H24N8O5/c1-3-4-20-16(30)9-5-22-26(6-9)18-23-14(19-2)11-15(24-18)25(8-21-11)17-13(29)12(28)10(7-27)31-17/h5-6,8,10,12-13,17,27-29H,3-4,7H2,1-2H3,(H,20,30)(H,19,23,24)/t10-,12-,13-,17?/m1/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	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
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