Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50042211'   

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))	BDBM50042211 (8-Cyclopentyl-1-propyl-3,7-dihydro-purine-2,6-dion...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C13H18N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity of specific [3H]-R-PIA binding to rat Adenosine A1 receptor in HEK-293 cells				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50042211 (8-Cyclopentyl-1-propyl-3,7-dihydro-purine-2,6-dion...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C13H18N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutische Chemie Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand				J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50042211 (8-Cyclopentyl-1-propyl-3,7-dihydro-purine-2,6-dion...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C13H18N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	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 (Rattus norvegicus (rat))	BDBM50042211 (8-Cyclopentyl-1-propyl-3,7-dihydro-purine-2,6-dion...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C13H18N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair