Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM493769'   

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))	BDBM493769 (US10988455, Example 1(clxxx)) Show SMILES Nc1nnc(-c2cc(Cl)nc(c2)C(F)F)c(n1)-c1ccccc1 Show InChI InChI=1S/C15H10ClF2N5/c16-11-7-9(6-10(20-11)14(17)18)13-12(21-15(19)23-22-13)8-4-2-1-3-5-8/h1-7,14H,(H2,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.26	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
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