Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interferon regulatory factor 3' and Ligand = 'BDBM50506266'   

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
Interferon regulatory factor 3 (Homo sapiens)	BDBM50506266 (CHEMBL4570758) Show SMILES COc1cc(cc2nc(NC(=O)c3ccc4ccccc4n3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O Show InChI InChI=1S/C30H28N6O5/c1-40-25-17-21(27(31)37)16-24-26(25)36(15-7-14-32-30(39)41-18-19-8-3-2-4-9-19)29(34-24)35-28(38)23-13-12-20-10-5-6-11-22(20)33-23/h2-6,8-13,16-17H,7,14-15,18H2,1H3,(H2,31,37)(H,32,39)(H,34,35,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay				J Med Chem 63: 260-282 (2020) Article DOI: 10.1021/acs.jmedchem.9b01567 BindingDB Entry DOI: 10.7270/Q2TH8R0C
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