Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50085672'   

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))	BDBM50085672 ((2R,3R,4S,5R)-2-(6-Amino-2-cyclopentylamino-purin-...) Show SMILES Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O4/c16-12-9-13(20-15(19-12)18-7-3-1-2-4-7)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085672 ((2R,3R,4S,5R)-2-(6-Amino-2-cyclopentylamino-purin-...) Show SMILES Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O4/c16-12-9-13(20-15(19-12)18-7-3-1-2-4-7)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	549	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair