Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50081672'   

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 (Rattus norvegicus (rat))	BDBM50081672 (2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylca...) Show SMILES CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C Show InChI InChI=1S/C24H32NO3S/c1-6-10-16-19-20(24(27)29-9-4)18(7-2)21(23(26)28-8-3)22(25(19)5)17-14-12-11-13-15-17/h11-15H,6-10,16H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 from Adenosine A2A receptor of rat striatal membranes.				J Med Chem 42: 4232-8 (1999) BindingDB Entry DOI: 10.7270/Q2V69HSC
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