Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50196014'   

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)	BDBM50196014 (3-(2-(trifluoromethyl)benzyl)-N-cyclopentyl-5-phen...) Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H21F3N6/c24-23(25,26)18-13-7-4-10-16(18)14-32-22-19(30-31-32)21(27-17-11-5-6-12-17)28-20(29-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,27,28,29)	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
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196014 (3-(2-(trifluoromethyl)benzyl)-N-cyclopentyl-5-phen...) Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H21F3N6/c24-23(25,26)18-13-7-4-10-16(18)14-32-22-19(30-31-32)21(27-17-11-5-6-12-17)28-20(29-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A1 receptor				Eur J Med Chem 43: 114-21 (2008) Article DOI: 10.1016/j.ejmech.2007.02.009 BindingDB Entry DOI: 10.7270/Q2WW7JWK
					More data for this Ligand-Target Pair