Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50011296'   

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))	BDBM50011296 (CHEMBL3260728 | US10988455, Example 2(iv)) Show SMILES CC1CN(CC(C)O1)c1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C15H19N5O/c1-10-8-20(9-11(2)21-10)14-13(17-15(16)19-18-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine receptor A2a				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50011296 (CHEMBL3260728 | US10988455, Example 2(iv)) Show SMILES CC1CN(CC(C)O1)c1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C15H19N5O/c1-10-8-20(9-11(2)21-10)14-13(17-15(16)19-18-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	16.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...				US Patent US10988455 (2021) BindingDB Entry DOI: 10.7270/Q26Q21CT
					More data for this Ligand-Target Pair