Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50034878'   

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))	BDBM50034878 (CHEMBL48461 | N-(2-Hexylamino-9-methyl-9H-purin-6-...) Show SMILES CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1 Show InChI InChI=1S/C19H23IN6O/c1-3-4-5-6-10-21-19-24-16(15-17(25-19)26(2)12-22-15)23-18(27)13-8-7-9-14(20)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	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 Binding affinity against adenosine A2A receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
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