Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50369515'   

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))	BDBM50369515 (CHEMBL604636) Show SMILES COc1cccc(CNc2nc(Cl)nc3n(cnc23)C2O[C@@H]([C@H](O)[C@@H]2O)c2ccon2)c1 |r| Show InChI InChI=1S/C20H19ClN6O5/c1-30-11-4-2-3-10(7-11)8-22-17-13-18(25-20(21)24-17)27(9-23-13)19-15(29)14(28)16(32-19)12-5-6-31-26-12/h2-7,9,14-16,19,28-29H,8H2,1H3,(H,22,24,25)/t14-,15+,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
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