Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50452201'   

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))	BDBM50452201 (CHEMBL569275) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r| Show InChI InChI=1S/C14H19N5O4/c20-4-8-10(21)11(22)14(23-8)19-6-17-9-12(15-5-16-13(9)19)18-7-2-1-3-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.777	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain				J Med Chem 28: 1383-4 (1985) BindingDB Entry DOI: 10.7270/Q2GH9JHW
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