Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50368200'   

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 (Rattus norvegicus (rat))	BDBM50368200 (CHEMBL2236007 | CHEMBL604150) Show SMILES CCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r| Show InChI InChI=1S/C22H27N5O5/c1-2-31-13-7-6-12-4-3-5-15(14(12)8-13)26-20-17-21(24-10-23-20)27(11-25-17)22-19(30)18(29)16(9-28)32-22/h6-8,10-11,15-16,18-19,22,28-30H,2-5,9H2,1H3,(H,23,24,26)/t15?,16-,18-,19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair