Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50149361'   

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))	BDBM50149361 (4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazol...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C16H14N6O2/c1-24-10-7-5-9(6-8-10)22-16(23)21-12-4-2-3-11(17)13(12)19-14(18)15(21)20-22/h2-8H,17H2,1H3,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]CHA				J Med Chem 47: 3580-90 (2004) Article DOI: 10.1021/jm031136l BindingDB Entry DOI: 10.7270/Q2CV4JHH
					More data for this Ligand-Target Pair