Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50454226'   

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))	BDBM50454226 (CHEMBL2063640) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C18H21NO4/c1-5-23-18(21)15-12(3)19-11(2)14(17(20)22-4)16(15)13-9-7-6-8-10-13/h6-10,16,19H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	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 Displacement of specific [3H]-(R)-PIA binding at adenosine A1 receptor from rat brain membranes.				J Med Chem 40: 2596-608 (1997) Article DOI: 10.1021/jm970091j BindingDB Entry DOI: 10.7270/Q21V5D29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454226 (CHEMBL2063640) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C18H21NO4/c1-5-23-18(21)15-12(3)19-11(2)14(17(20)22-4)16(15)13-9-7-6-8-10-13/h6-10,16,19H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	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 Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair