Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50513532'   

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))	BDBM50513532 (CHEMBL4463100) Show SMILES Nc1nc(N\N=C\c2cccc(OCc3ccccc3)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25N7O5/c25-21-18-22(31(13-26-18)23-20(34)19(33)17(11-32)36-23)29-24(28-21)30-27-10-15-7-4-8-16(9-15)35-12-14-5-2-1-3-6-14/h1-10,13,17,19-20,23,32-34H,11-12H2,(H3,25,28,29,30)/b27-10+/t17-,19-,20-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair