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BDBM50142518 Acetic acid 2-acetoxy-5-[4-(3,4-diacetoxy-benzoylamino)-phenylcarbamoyl]-phenyl ester::CHEMBL44680

SMILES: CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1ccc(NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1

InChI Key: InChIKey=BMQNYWIGMJWHOX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50142518   
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
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))		BDBM50142518
PNG
(Acetic acid 2-acetoxy-5-[4-(3,4-diacetoxy-benzoyla...)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1ccc(NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1
Show InChI InChI=1S/C28H24N2O10/c1-15(31)37-23-11-5-19(13-25(23)39-17(3)33)27(35)29-21-7-9-22(10-8-21)30-28(36)20-6-12-24(38-16(2)32)26(14-20)40-18(4)34/h5-14H,1-4H3,(H,29,35)(H,30,36)
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Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form

Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair