Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50120444'   

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 (BOVINE)	BDBM50120444 (2-(4-Methoxy-phenyl)-5,6-dimethyl-7-(1-phenyl-ethy...) Show SMILES COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n(C(C)c3ccccc3)c2n1 Show InChI InChI=1S/C23H24N4O/c1-14-15(2)27(16(3)17-8-6-5-7-9-17)23-20(14)21(24)25-22(26-23)18-10-12-19(28-4)13-11-18/h5-13,16H,1-4H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Binding affinity at bovine Adenosine A1 receptor.				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
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