Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50026819'   

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))	BDBM50026819 (CHEMBL3335525) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)Oc3ccc(NC(=O)CCc4ccc(CCNc5nc(N)c6ncn([C@@H]7O[C@@H]([C@@H](O)[C@H]7O)C(=O)NCC)c6n5)cc4)cc3[N+]([O-])=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C39H47N11O10S/c1-2-41-36(55)33-31(53)32(54)37(60-33)49-19-43-30-34(40)47-38(48-35(30)49)42-16-15-21-9-7-20(8-10-21)11-14-27(51)44-22-12-13-25(24(17-22)50(57)58)59-28(52)6-4-3-5-26-29-23(18-61-26)45-39(56)46-29/h7-10,12-13,17,19,23,26,29,31-33,37,53-54H,2-6,11,14-16,18H2,1H3,(H,41,55)(H,44,51)(H2,45,46,56)(H3,40,42,47,48)/t23-,26-,29-,31-,32+,33-,37+/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	3.28E+3	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