Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50138551'   

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))	BDBM50138551 (CHEMBL150604 | Cyclopropyl-carbamic acid (2R,3S,4R...) Show SMILES O[C@@H]1[C@@H](COC(=O)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H24N6O6/c25-13-11(6-29-18(27)23-9-1-2-9)30-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-28-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,27)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	209	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