Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM82042'   

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))	BDBM82042 (1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1 Show InChI InChI=1S/C11H10N4O2S/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-18-6/h3-5H,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	96.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82042 (1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1 Show InChI InChI=1S/C11H10N4O2S/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-18-6/h3-5H,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes				J Med Chem 32: 1873-9 (1989) BindingDB Entry DOI: 10.7270/Q2708213
					More data for this Ligand-Target Pair