Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50545317'   

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))	BDBM50545317 (CHEMBL4645283) Show SMILES Nc1nc(NCC2CCN(CC(=O)NCCc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C25H30N8O4S2/c26-22-21-24(38-23(30-21)19-2-1-13-37-19)32-25(31-22)29-14-17-8-11-33(12-9-17)15-20(34)28-10-7-16-3-5-18(6-4-16)39(27,35)36/h1-6,13,17H,7-12,14-15H2,(H,28,34)(H2,27,35,36)(H3,26,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	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
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