Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50152083'   

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))	BDBM50152083 (1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...) Show SMILES CCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C17H22N8O5/c1-3-19-15(29)8-4-21-25(5-8)17-22-13(18-2)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,3,6H2,1-2H3,(H,19,29)(H,18,22,23)/t9-,11-,12-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
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