Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50290902'   

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))	BDBM50290902 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(pyrrolidin-1-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)ncnc12 Show InChI InChI=1S/C14H20N6O4/c21-5-8-10(22)11(23)14(24-8)20-7-17-9-12(15-6-16-13(9)20)18-19-3-1-2-4-19/h6-8,10-11,14,21-23H,1-5H2,(H,15,16,18)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50290902 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(pyrrolidin-1-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)ncnc12 Show InChI InChI=1S/C14H20N6O4/c21-5-8-10(22)11(23)14(24-8)20-7-17-9-12(15-6-16-13(9)20)18-19-3-1-2-4-19/h6-8,10-11,14,21-23H,1-5H2,(H,15,16,18)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair