Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50221693'   

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))	BDBM50221693 (1,3-dimethyl-9-(2-(p-tolyloxy)ethyl)-6,7,8,9-tetra...) Show SMILES Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1 Show InChI InChI=1S/C19H23N5O3/c1-13-5-7-14(8-6-13)27-12-11-23-9-4-10-24-15-16(20-18(23)24)21(2)19(26)22(3)17(15)25/h5-8H,4,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 6956-74 (2007) Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB
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