Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50047171'   

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))	BDBM50047171 (7-Methyl-1,3-dipropyl-8-[(E)-2-(2,3,4-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-13-26-21-18(22(28)27(14-8-2)23(26)29)25(3)17(24-21)12-10-15-9-11-16(30-4)20(32-6)19(15)31-5/h9-12H,7-8,13-14H2,1-6H3/b12-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50047171 (7-Methyl-1,3-dipropyl-8-[(E)-2-(2,3,4-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-13-26-21-18(22(28)27(14-8-2)23(26)29)25(3)17(24-21)12-10-15-9-11-16(30-4)20(32-6)19(15)31-5/h9-12H,7-8,13-14H2,1-6H3/b12-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	379	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair