Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50366579'   

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))	BDBM50366579 (CHEMBL608068) Show SMILES C[C@@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@H]1c1ccccc1 |r,c:2,5| Show InChI InChI=1S/C19H21N5O4/c1-10-14(11-5-3-2-4-6-11)23-9-21-17-13(18(23)22-10)20-8-24(17)19-16(27)15(26)12(7-25)28-19/h2-6,8-10,12,14-16,19,25-27H,7H2,1H3/t10-,12-,14+,15-,16-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity for rat brain Adenosine A1 receptor				Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB
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