Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50453676'   

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))	BDBM50453676 (CHEMBL2112077) Show SMILES C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C15H16IN5O/c1-10(7-22)21-9-20-13-14(18-8-19-15(13)21)17-6-11-3-2-4-12(16)5-11/h2-5,8-10,22H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair