Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50104332'   

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)	BDBM50104332 (4-Butylamino-1-(2-chloro-2-phenyl-ethyl)-1H-pyrazo...) Show SMILES CCCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC Show InChI InChI=1S/C21H25ClN4O2/c1-3-5-11-23-19-16-13-25-26(14-18(22)15-9-7-6-8-10-15)20(16)24-12-17(19)21(27)28-4-2/h6-10,12-13,18H,3-5,11,14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50104332 (4-Butylamino-1-(2-chloro-2-phenyl-ethyl)-1H-pyrazo...) Show SMILES CCCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC Show InChI InChI=1S/C21H25ClN4O2/c1-3-5-11-23-19-16-13-25-26(14-18(22)15-9-7-6-8-10-15)20(16)24-12-17(19)21(27)28-4-2/h6-10,12-13,18H,3-5,11,14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facoltà di Farmacia dell'Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membrane expressed as Ki				Bioorg Med Chem Lett 11: 2529-31 (2001) BindingDB Entry DOI: 10.7270/Q2K35SZW
					More data for this Ligand-Target Pair