Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50138531'   

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 (Homo sapiens (Human))	BDBM50138531 (CHEMBL356776 | Cyclopentyl-carbamic acid (2R,3S,4R...) Show SMILES O[C@@H]1[C@@H](COC(=O)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C20H28N6O6/c27-15-13(8-31-20(29)25-11-3-1-2-4-11)32-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-30-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,29)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair