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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50291418'   
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))		BDBM50291418
PNG
((E)-3-((S)-4-Ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\C=C\C(=O)OC)c4cc3Cn1c2=O
Show InChI InChI=1S/C24H20N2O6/c1-3-24(30)17-10-19-21-14(11-26(19)22(28)16(17)12-32-23(24)29)9-15-13(7-8-20(27)31-2)5-4-6-18(15)25-21/h4-10,30H,3,11-12H2,1-2H3/b8-7+/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 6.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min

Bioorg Med Chem Lett 7: 847-850 (1997)


Article DOI: 10.1016/S0960-894X(97)00105-4
BindingDB Entry DOI: 10.7270/Q2T43T3V
More data for this
Ligand-Target Pair