Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50109464'   

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))	BDBM50109464 (1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H19FN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 253-401				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair