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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-binding protein 1' and Ligand = 'BDBM50076922'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
DNA topoisomerase 2-binding protein 1


(Homo sapiens (Human))		BDBM50076922
PNG
(1,11-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylam...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)18-16-11-3-1-5-13(37)20(11)30-21(16)23-17(19(18)28(33)43)12-4-2-6-14(38)22(12)32(23)29-26(41)25(40)24(39)15(9-36)44-29/h1-6,10,15,24-26,29-31,34-41H,7-9H2
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KEGG

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PC cid
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Similars
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.

Bioorg Med Chem Lett 9: 3307-12 (2000)


BindingDB Entry DOI: 10.7270/Q2KD1X4C
More data for this
Ligand-Target Pair