Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50179046'   

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))	BDBM50179046 (1-(3,4-dimethoxyphenethyl)-3-(9-((2R,3R,4S,5S)-5-(...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)ncnc12 Show InChI InChI=1S/C23H29N7O7/c1-4-24-21(33)18-16(31)17(32)22(37-18)30-11-28-15-19(26-10-27-20(15)30)29-23(34)25-8-7-12-5-6-13(35-2)14(9-12)36-3/h5-6,9-11,16-18,22,31-32H,4,7-8H2,1-3H3,(H,24,33)(H2,25,26,27,29,34)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.				J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10
					More data for this Ligand-Target Pair