Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50021455'   

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))	BDBM50021455 (8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Evaluated for binding affinity against Adenosine A1 receptor				J Med Chem 35: 629-35 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q23R0V5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021455 (8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair