Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM108257'   

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 A1 (Homo sapiens (Human))	BDBM108257 (US8609833, 88) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11ClN6O6/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(23-9)1-22-17(20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
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