Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50230719'   

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/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50230719 (CHEMBL280796) Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CNC(C)=O Show InChI InChI=1S/C24H29N5O6/c1-15(30)25-11-7-8-12-35-21-17(33-5)13-16(14-18(21)34-6)9-10-19-26-22-20(27(19)2)23(31)29(4)24(32)28(22)3/h7-10,13-14H,11-12H2,1-6H3,(H,25,30)/b8-7+,10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	216	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 A2 receptor in rat brain using [3H]- CGS 21680 as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
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