Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50086148'   

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)	BDBM50086148 (2-Phenyl-4-(3-phenyl-propylamino)-2H-[1,2,4]triazo...) Show SMILES O=c1n(nc2c(NCCCc3ccccc3)nc3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C24H21N5O/c30-24-28-21-16-8-7-15-20(21)26-22(25-17-9-12-18-10-3-1-4-11-18)23(28)27-29(24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
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