Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50413813'   

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))	BDBM50413813 (CHEMBL513368) Show SMILES OC1C(O)C(OC1C(=O)NCc1cccc(c1)C(F)(F)F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C25H21ClF3IN6O4/c26-24-34-20(31-9-13-4-2-6-15(30)8-13)16-21(35-24)36(11-33-16)23-18(38)17(37)19(40-23)22(39)32-10-12-3-1-5-14(7-12)25(27,28)29/h1-8,11,17-19,23,37-38H,9-10H2,(H,32,39)(H,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	355	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
					More data for this Ligand-Target Pair