Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50042198'   

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))	BDBM50042198 (1-Cyclopentyl-3,7-dihydro-purine-2,6-dione | CHEMB...) Show SMILES O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1 Show InChI InChI=1S/C10H12N4O2/c15-9-7-8(12-5-11-7)13-10(16)14(9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity of specific [3H]-R-PIA binding to rat Adenosine A1 receptor in HEK-293 cells				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50042198 (1-Cyclopentyl-3,7-dihydro-purine-2,6-dione | CHEMB...) Show SMILES O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1 Show InChI InChI=1S/C10H12N4O2/c15-9-7-8(12-5-11-7)13-10(16)14(9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutische Chemie Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand				J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W
					More data for this Ligand-Target Pair