Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50545316'   

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))	BDBM50545316 (CHEMBL4633630) Show SMILES Nc1nc(NCC2CCN(CC(=O)NCc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C24H28N8O4S2/c25-21-20-23(37-22(29-20)18-2-1-11-36-18)31-24(30-21)28-13-16-7-9-32(10-8-16)14-19(33)27-12-15-3-5-17(6-4-15)38(26,34)35/h1-6,11,16H,7-10,12-14H2,(H,27,33)(H2,26,34,35)(H3,25,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241383 from human A2AR expressed in CHO cells by competitive binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127067 BindingDB Entry DOI: 10.7270/Q26M3BFS
					More data for this Ligand-Target Pair