Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50001496'   

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 (GUINEA PIG)	BDBM50001496 (7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCn1c2ncn(CC)c2c(=O)n(C)c1=O Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(14(5-2)7-12-9)10(16)13(3)11(15)17/h7H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50001496 (7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCn1c2ncn(CC)c2c(=O)n(C)c1=O Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(14(5-2)7-12-9)10(16)13(3)11(15)17/h7H,4-6H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair