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BDBM50378455 LYCOGARUBIN B

SMILES: COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(O)cc23)c1-c1c[nH]c2ccccc12

InChI Key: InChIKey=SZBJDRXMLSSPCV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50378455   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Transcription factor HES-1


(Mus musculus)		BDBM50378455
PNG
(LYCOGARUBIN B)
Show SMILES COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(O)cc23)c1-c1c[nH]c2ccccc12 |(7.11,-6.42,;8.45,-7.17,;9.78,-6.38,;9.75,-4.84,;11.12,-7.13,;12.37,-6.21,;13.62,-7.11,;14.94,-6.31,;14.9,-4.77,;16.29,-7.05,;17.6,-6.24,;13.14,-8.58,;13.64,-10.04,;12.75,-11.29,;13.68,-12.53,;15.13,-12.02,;16.46,-12.77,;17.79,-11.98,;17.76,-10.44,;19.08,-9.65,;16.42,-9.7,;15.11,-10.49,;11.6,-8.6,;11.13,-10.06,;12.04,-11.31,;11.13,-12.56,;9.67,-12.08,;8.34,-12.85,;7,-12.09,;6.99,-10.54,;8.33,-9.77,;9.66,-10.54,)|
Show InChI InChI=1S/C24H19N3O5/c1-31-23(29)21-19(15-10-25-17-6-4-3-5-13(15)17)20(22(27-21)24(30)32-2)16-11-26-18-8-7-12(28)9-14(16)18/h3-11,25-28H,1-2H3
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Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/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