Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50385947'   

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))	BDBM50385947 (CHEMBL2042303) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)nc12 |r| Show InChI InChI=1S/C28H38N8O5S2/c1-2-30-26(40)23-21(38)22(39)27(41-23)36-15-32-20-24(29)34-28(35-25(20)36)31-13-11-16-7-9-17(10-8-16)33-19(37)6-4-3-5-18-12-14-42-43-18/h7-10,15,18,21-23,27,38-39H,2-6,11-14H2,1H3,(H,30,40)(H,33,37)(H3,29,31,34,35)/t18-,21-,22+,23-,27+/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	121	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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