Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50385953'   

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))	BDBM50385953 (CHEMBL2042309) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r| Show InChI InChI=1S/C49H58N8O6/c1-8-50-45(62)41-39(59)40(60)46(63-41)57-28-53-37-42(52-27-34(30-15-11-9-12-16-30)31-17-13-10-14-18-31)55-47(56-43(37)57)51-24-23-29-19-21-33(22-20-29)54-44(61)32-25-35(48(2,3)4)38(58)36(26-32)49(5,6)7/h9-22,25-26,28,34,39-41,46,58-60H,8,23-24,27H2,1-7H3,(H,50,62)(H,54,61)(H2,51,52,55,56)/t39-,40+,41-,46+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	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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