Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50545312'   

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))	BDBM50545312 (CHEMBL4632532) Show SMILES Nc1nc(NCCc2ccc(cc2)S(N)(=O)=O)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C17H16N6O3S2/c18-14-13-16(27-15(21-13)12-2-1-9-26-12)23-17(22-14)20-8-7-10-3-5-11(6-4-10)28(19,24)25/h1-6,9H,7-8H2,(H2,19,24,25)(H3,18,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	295	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