Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50141452'   

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))	BDBM50141452 (3-Cyclopentyl-N-[6-cyclopentylamino-9-((2R,3R,4S,5...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12 Show InChI InChI=1S/C23H34N6O5/c30-11-15-18(32)19(33)22(34-15)29-12-24-17-20(25-14-7-3-4-8-14)27-23(28-21(17)29)26-16(31)10-9-13-5-1-2-6-13/h12-15,18-19,22,30,32-33H,1-11H2,(H2,25,26,27,28,31)/t15-,18-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
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