Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50064626'   

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))	BDBM50064626 (CHEMBL3403734) Show SMILES Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O Show InChI InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem Lett 25: 1306-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.040 BindingDB Entry DOI: 10.7270/Q2QN68GJ
					More data for this Ligand-Target Pair