Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50039691'   

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 (Homo sapiens (Human))	BDBM50039691 (3-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc(CCCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C21H26FN5O5S/c1-3-11-26-18-17(20(29)27(12-4-2)21(26)30)24-16(25-18)9-6-10-23-19(28)14-7-5-8-15(13-14)33(22,31)32/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells.				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039691 (3-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc(CCCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C21H26FN5O5S/c1-3-11-26-18-17(20(29)27(12-4-2)21(26)30)24-16(25-18)9-6-10-23-19(28)14-7-5-8-15(13-14)33(22,31)32/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair