Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcription factor HES-1' and Ligand = 'BDBM50378456'   

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
Transcription factor HES-1 (Mus musculus)	BDBM50378456 (LYCOGALIC ACID A | LYCOGARIC ACID A) Show SMILES OC(=O)c1[nH]c(C(O)=O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12 |(-3.69,3.13,;-2.28,3.76,;-2.12,5.29,;-1.03,2.85,;.43,3.33,;1.34,2.08,;2.88,2.08,;3.65,3.42,;3.65,.75,;.43,.84,;.91,-.63,;0,-1.87,;.91,-3.12,;2.37,-2.64,;3.71,-3.41,;5.04,-2.64,;5.04,-1.1,;3.71,-.33,;2.37,-1.1,;-1.03,1.31,;-2.28,.41,;-3.74,.88,;-4.65,-.36,;-3.74,-1.61,;-4.06,-3.11,;-2.92,-4.14,;-1.45,-3.67,;-1.13,-2.16,;-2.28,-1.13,)| Show InChI InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay				Bioorg Med Chem Lett 19: 5778-81 (2009) Article DOI: 10.1016/j.bmcl.2009.07.146 BindingDB Entry DOI: 10.7270/Q26Q1Z5X
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