BDBM50378457 CHEMBL572017

SMILES: C\C=C1\[C@H]2OC=C([C@H]1CC(=O)OC[C@@H](OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1)C(O)=O

InChI Key: InChIKey=HYGUFHOLLCKYHM-VYFNEUOUSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50378457   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transcription factor HES-1 (Mus musculus)	BDBM50378457 (CHEMBL572017) Show SMILES C\C=C1\[C@H]2OC=C([C@H]1CC(=O)OC[C@@H](OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1)C(O)=O |r,c:5| Show InChI InChI=1S/C24H28O13/c1-2-11-12-6-18(27)34-8-16(10-3-4-14(25)15(26)5-10)33-9-17-19(28)20(29)21(30)24(36-17)37-23(11)35-7-13(12)22(31)32/h2-5,7,12,16-17,19-21,23-26,28-30H,6,8-9H2,1H3,(H,31,32)/b11-2+/t12-,16?,17+,19+,20-,21+,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+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
					More data for this Ligand-Target Pair