Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50011222'   

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))	BDBM50011222 (8-(1-Phenyl-propyl)-1,3-dipropyl-3,7-dihydro-purin...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)c1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-12-23-18-16(19(25)24(13-5-2)20(23)26)21-17(22-18)15(6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50011222 (8-(1-Phenyl-propyl)-1,3-dipropyl-3,7-dihydro-purin...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)c1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-12-23-18-16(19(25)24(13-5-2)20(23)26)21-17(22-18)15(6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity carried out with [3H]-cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor				J Med Chem 34: 466-9 (1991) BindingDB Entry DOI: 10.7270/Q2154G0Z
					More data for this Ligand-Target Pair