Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50039694'   

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))	BDBM50039694 (4-[(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCn1c2nc(CNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H22FN5O5S/c1-3-9-24-16-15(18(27)25(10-4-2)19(24)28)22-14(23-16)11-21-17(26)12-5-7-13(8-6-12)31(20,29)30/h5-8H,3-4,9-11H2,1-2H3,(H,21,26)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+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
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