Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50097452'   

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))	BDBM50097452 (CHEMBL354004 | [4-(3-Phenyl-[1,2,4]thiadiazol-5-yl...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)	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
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
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