Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50385954'   

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))	BDBM50385954 (CHEMBL2042310) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)nc12 |r| Show InChI InChI=1S/C42H50N8O5S2/c1-2-43-40(54)37-35(52)36(53)41(55-37)50-26-46-34-38(45-25-32(28-11-5-3-6-12-28)29-13-7-4-8-14-29)48-42(49-39(34)50)44-23-21-27-17-19-30(20-18-27)47-33(51)16-10-9-15-31-22-24-56-57-31/h3-8,11-14,17-20,26,31-32,35-37,41,52-53H,2,9-10,15-16,21-25H2,1H3,(H,43,54)(H,47,51)(H2,44,45,48,49)/t31-,35-,36+,37-,41+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation				J Med Chem 55: 3521-34 (2012) Article DOI: 10.1021/jm300206u BindingDB Entry DOI: 10.7270/Q2FT8N35
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