Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50366247'   

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))	BDBM50366247 (CHEMBL608168) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)[nH]c(=O)nc12 |r| Show InChI InChI=1S/C15H21N5O5/c21-5-8-10(22)11(23)14(25-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(24)19-13(9)20/h6-8,10-11,14,21-23H,1-5H2,(H2,17,18,19,24)/t8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes				Bioorg Med Chem Lett 1: 481-486 (1991) Article DOI: 10.1016/S0960-894X(01)81110-0 BindingDB Entry DOI: 10.7270/Q2K64JJ8
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