Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50034401'   

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))	BDBM50034401 (3-Methyl-1-(3-nitro-phenyl)-7-phenethyloxy-1H-chro...) Show SMILES Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12 Show InChI InChI=1S/C25H19N3O5/c1-16-23-24(29)21-11-10-20(32-13-12-17-6-3-2-4-7-17)15-22(21)33-25(23)27(26-16)18-8-5-9-19(14-18)28(30)31/h2-11,14-15H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Binding activity against Adenosine A1 receptor using [3H]-CHA as a radioligand.				J Med Chem 38: 1330-6 (1995) BindingDB Entry DOI: 10.7270/Q27S7MTK
					More data for this Ligand-Target Pair