Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367228'   

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))	BDBM50367228 (CHEMBL603382) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCCCC3)ncnc12 |r| Show InChI InChI=1S/C20H31N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-23-15-18(21-11-22-19(15)25)24-13-8-6-4-2-1-3-5-7-9-13/h11-14,16-17,20,26-28H,1-10H2,(H,21,22,24)/t14-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	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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