Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50049391'   

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))	BDBM50049391 (3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	863	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 Displacement of specific [3H]-PIA binding from adenosine A1 receptor in rat brain membranes.				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50049391 (3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	863	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 at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.				J Med Chem 39: 2293-301 (1996) Article DOI: 10.1021/jm950923i BindingDB Entry DOI: 10.7270/Q2D799J2
					More data for this Ligand-Target Pair