Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50026817'   

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))	BDBM50026817 (CHEMBL3335526) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(O)c(c4)[N+]([O-])=O)cc3)nc12 |r| Show InChI InChI=1S/C29H33N9O8/c1-2-31-27(43)24-22(41)23(42)28(46-24)37-14-33-21-25(30)35-29(36-26(21)37)32-12-11-16-5-3-15(4-6-16)7-10-20(40)34-17-8-9-19(39)18(13-17)38(44)45/h3-6,8-9,13-14,22-24,28,39,41-42H,2,7,10-12H2,1H3,(H,31,43)(H,34,40)(H3,30,32,35,36)/t22-,23+,24-,28+/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	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from human adenosine A2a receptor expressed in HEK293 cell...				ACS Med Chem Lett 5: 1043-8 (2014) Article DOI: 10.1021/ml5002486 BindingDB Entry DOI: 10.7270/Q2VD712G
					More data for this Ligand-Target Pair