Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50054670'   

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))	BDBM50054670 (2-Methyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-6-phenyl...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:33,t:30| Show InChI InChI=1S/C31H28N2O6/c1-3-38-31(35)28-26(19-16-22-14-17-25(18-15-22)33(36)37)27(30(34)39-20-23-10-6-4-7-11-23)21(2)32-29(28)24-12-8-5-9-13-24/h4-19,26,35H,3,20H2,1-2H3/b19-16+,31-28-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	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 cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
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