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BDBM50142510 Acetic acid 2,3-diacetoxy-5-[3-(3,4,5-triacetoxy-benzoylamino)-phenylcarbamoyl]-phenyl ester::CHEMBL295024

SMILES: CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1cccc(NC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c1

InChI Key: InChIKey=CWQDDOYRQBHJKU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50142510   
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))		BDBM50142510
PNG
(Acetic acid 2,3-diacetoxy-5-[3-(3,4,5-triacetoxy-b...)
Show SMILES CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1cccc(NC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c1
Show InChI InChI=1S/C32H28N2O14/c1-15(35)43-25-10-21(11-26(44-16(2)36)29(25)47-19(5)39)31(41)33-23-8-7-9-24(14-23)34-32(42)22-12-27(45-17(3)37)30(48-20(6)40)28(13-22)46-18(4)38/h7-14H,1-6H3,(H,33,41)(H,34,42)
PDB

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UniChem

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Article
PubMed
n/an/a 1.12E+4n/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