Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50138529'   

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))	BDBM50138529 (CHEMBL357055 | Cyclohexyl-thiocarbamic acid (2R,3S...) Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C21H30N6O5S/c28-16-14(9-31-21(33)26-12-4-2-1-3-5-12)32-20(17(16)29)27-11-24-15-18(22-10-23-19(15)27)25-13-6-7-30-8-13/h10-14,16-17,20,28-29H,1-9H2,(H,26,33)(H,22,23,25)/t13?,14-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	253	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