Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM44650'   

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))	BDBM44650 (1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazo...) Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1 Show InChI InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
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