Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50316851'   

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))	BDBM50316851 (2-Phenyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1 Show InChI InChI=1S/C18H14N2OS/c1-2-11-20-16(12-7-4-3-5-8-12)19-17-15(18(20)21)13-9-6-10-14(13)22-17/h1,3-5,7-8H,6,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
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