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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50049294   
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 1


(Homo sapiens (Human))		BDBM50049294
PNG
(8-ethyl-8-hydroxy-15-(1-pyridiniumylmethyl)-(8S)-2...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O
Show InChI InChI=1S/C28H24N3O6/c1-2-28(34)20-11-22-25-18(14-31(22)26(32)19(20)15-37-27(28)33)17(13-30-6-4-3-5-7-30)16-10-23-24(12-21(16)29-25)36-9-8-35-23/h3-7,10-12,34H,2,8-9,13-15H2,1H3/q+1/t28-/m0/s1
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Similars
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I isolated from calf thymus

J Med Chem 39: 713-9 (1996)


Article DOI: 10.1021/jm950507y
BindingDB Entry DOI: 10.7270/Q2416W41
More data for this
Ligand-Target Pair