Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367596'   

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))	BDBM50367596 (CHEMBL604961) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3c4ccccc4-c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C23H21N5O4/c29-9-16-19(30)20(31)23(32-16)28-11-26-18-21(24-10-25-22(18)28)27-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,10-11,16-17,19-20,23,29-31H,9H2,(H,24,25,27)/t16-,19-,20-,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
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