Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367372'   

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))	BDBM50367372 (CHEMBL605029) Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N(CC)CC |r| Show InChI InChI=1S/C19H30N6O4/c1-5-11(6-2)23-16-12-17(21-9-20-16)25(10-22-12)19-14(27)13(26)15(29-19)18(28)24(7-3)8-4/h9-11,13-15,19,26-27H,5-8H2,1-4H3,(H,20,21,23)/t13-,14+,15-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	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
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