Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50281144'   

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 (Rattus norvegicus (rat))	BDBM50281144 ((2R,3R,4S,5R)-2-[6-(Azepan-1-ylamino)-2-chloro-pur...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H23ClN6O4/c17-16-19-13(21-22-5-3-1-2-4-6-22)10-14(20-16)23(8-18-10)15-12(26)11(25)9(7-24)27-15/h8-9,11-12,15,24-26H,1-7H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair