Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50370530'   

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))	BDBM50370530 (CHEMBL610580) Show SMILES CCCCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 |r| Show InChI InChI=1S/C24H32N8O7S/c1-3-5-6-11-29-40(37,38)15-9-7-14(8-10-15)30-24(36)31-20-16-21(27-12-26-20)32(13-28-16)23-18(34)17(33)19(39-23)22(35)25-4-2/h7-10,12-13,17-19,23,29,33-34H,3-6,11H2,1-2H3,(H,25,35)(H2,26,27,30,31,36)/t17-,18+,19-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	445	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CHA binding to Adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 5535-40 (2004) Article DOI: 10.1021/jm0408161 BindingDB Entry DOI: 10.7270/Q23F4QDM
					More data for this Ligand-Target Pair