Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50088459'   

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 A3 (Homo sapiens (Human))	BDBM50088459 (1-[2-(4,6-Dimethyl-pyrimidin-2-yl)-quinazolin-4-yl...) Show SMILES Cc1cc(C)nc(n1)-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C21H18N6O/c1-13-12-14(2)23-19(22-13)20-25-17-11-7-6-10-16(17)18(26-20)27-21(28)24-15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
					More data for this Ligand-Target Pair