Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM6643'   

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))	BDBM6643 (2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyrid...) Show SMILES COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N Show InChI InChI=1S/C15H10N4O3/c1-20-15-10(6-17)13(9(5-16)14(18)19-15)8-2-3-11-12(4-8)22-7-21-11/h2-4H,7H2,1H3,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK 293 cells after 2 hrs by scintillation counting				J Med Chem 55: 7010-20 (2012) Article DOI: 10.1021/jm3003069 BindingDB Entry DOI: 10.7270/Q2P55PMS
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