Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50170832'   

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))	BDBM50170832 (CHEMBL362740 | N*6*-Cyclohexyl-N*2*-(4-phenyl-pipe...) Show SMILES C1CCC(CC1)Nc1nc(NN2CCC(CC2)c2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C22H29N7/c1-3-7-16(8-4-1)17-11-13-29(14-12-17)28-22-26-20-19(23-15-24-20)21(27-22)25-18-9-5-2-6-10-18/h1,3-4,7-8,15,17-18H,2,5-6,9-14H2,(H3,23,24,25,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
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