Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367387'   

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))	BDBM50367387 (CHEMBL606503) Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C15H21N5O5/c1-3-7(4-2)19-12-8-13(17-5-16-12)20(6-18-8)14-10(22)9(21)11(25-14)15(23)24/h5-7,9-11,14,21-22H,3-4H2,1-2H3,(H,23,24)(H,16,17,19)/t9-,10+,11-,14?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against rat brain adenosine A1 receptor				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair