Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50372025'   

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))	BDBM50372025 (CHEMBL401571) Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC3CCCCC3)nc12 Show InChI InChI=1S/C32H40N6O4/c1-41-19-25-28(39)29(40)32(42-25)38-20-35-27-30(36-26(37-31(27)38)18-33-23-15-9-4-10-16-23)34-17-24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-3,5-8,11-14,20,23-25,28-29,32-33,39-40H,4,9-10,15-19H2,1H3,(H,34,36,37)/t25-,28-,29-,32-/m1/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	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 18: 1284-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.033 BindingDB Entry DOI: 10.7270/Q22808F4
					More data for this Ligand-Target Pair