Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50116854'   

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))	BDBM50116854 (CHEMBL3612946) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC3CCC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r| Show InChI InChI=1S/C24H26ClN9O3S/c1-26-22(37)24-7-12(24)17(18(35)19(24)36)33-10-28-16-20(27-8-11-3-2-4-11)29-23(30-21(16)33)34-9-13(31-32-34)14-5-6-15(25)38-14/h5-6,9-12,17-19,35-36H,2-4,7-8H2,1H3,(H,26,37)(H,27,29,30)/t12-,17-,18+,19+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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 Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes				ACS Med Chem Lett 6: 804-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00150 BindingDB Entry DOI: 10.7270/Q23R0VPF
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