Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50281143'   

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))	BDBM50281143 ((2R,3R,4S,5R)-2-[2-Chloro-6-(2,6-dimethyl-piperidi...) Show SMILES CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H25ClN6O4/c1-8-4-3-5-9(2)24(8)22-14-11-15(21-17(18)20-14)23(7-19-11)16-13(27)12(26)10(6-25)28-16/h7-10,12-13,16,25-27H,3-6H2,1-2H3,(H,20,21,22)/t8?,9?,10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	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