Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50199303'   

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))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair