Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50413801'   

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))	BDBM50413801 (CHEMBL529896) Show SMILES OC1C(O)C(OC1C(=O)N1CCOCC1)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C17H21ClN6O5/c18-17-21-13(20-8-1-2-8)9-14(22-17)24(7-19-9)16-11(26)10(25)12(29-16)15(27)23-3-5-28-6-4-23/h7-8,10-12,16,25-26H,1-6H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sobhasaria Engineering College Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells				Eur J Med Chem 44: 1377-82 (2009) Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03
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