Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50110992'   

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))	BDBM50110992 (8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50110992 (8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to human recombinant Adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair