Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50040359'   

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))	BDBM50040359 (CHEMBL145159 | N-[1,3-Bis-cyclopropylmethyl-7-(4-m...) Show SMILES COc1ccc(Cn2c(NS(=O)(=O)c3ccc(OC)cc3)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc1 Show InChI InChI=1S/C28H31N5O6S/c1-38-21-9-7-20(8-10-21)15-31-24-25(29-27(31)30-40(36,37)23-13-11-22(39-2)12-14-23)32(16-18-3-4-18)28(35)33(26(24)34)17-19-5-6-19/h7-14,18-19H,3-6,15-17H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of adenosine binding to A1 receptorof rat brain homogenates				J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N
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