Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM175374'   

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))	BDBM175374 (1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-ox...) Show SMILES CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C |t:19| Show InChI InChI=1S/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
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