Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50315628'   

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 (Homo sapiens (Human))	BDBM50315628 (2-(Phenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triaz...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C20H17N7/c21-20-23-18-16(13-26(24-18)12-11-14-7-3-1-4-8-14)19-22-17(25-27(19)20)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
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