Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50062852'   

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 (BOVINE)	BDBM50062852 (8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...) Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forschungszentrum Jülich GmbH Curated by ChEMBL					Assay Description In vitro binding affinity for Adenosine A1 receptor of bovine cortex				J Med Chem 45: 5150-6 (2002) BindingDB Entry DOI: 10.7270/Q21J993X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50062852 (8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...) Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forschungszentrum Jülich GmbH Curated by ChEMBL					Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes				J Med Chem 41: 555-63 (1998) Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60
					More data for this Ligand-Target Pair