Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50138543'   

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))	BDBM50138543 (CHEMBL150944 | Cyclobutyl-thiocarbamic acid (2R,3S...) Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C19H26N6O5S/c26-14-12(7-29-19(31)24-10-2-1-3-10)30-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-28-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,31)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	148	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