Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50047207'   

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))	BDBM50047207 (8-[2-(3,5-Difluoro-phenyl)-vinyl]-1,3-dipropyl-3,7...) Show SMILES CCCn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C19H20F2N4O2/c1-3-7-24-17-16(18(26)25(8-4-2)19(24)27)22-15(23-17)6-5-12-9-13(20)11-14(21)10-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	146	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 Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair