Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367412'   

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))	BDBM50367412 (CHEMBL604410) Show SMILES CC(C)(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C20H25N5O4/c1-20(2,12-6-4-3-5-7-12)9-21-17-14-18(23-10-22-17)25(11-24-14)19-16(28)15(27)13(8-26)29-19/h3-7,10-11,13,15-16,19,26-28H,8-9H2,1-2H3,(H,21,22,23)/t13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
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