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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 = 'BDBM50034022'   
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))		BDBM50034022
PNG
((S)-4,11-Diethyl-4-hydroxy-8-methyl-3,13-dioxo-3,4...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2c[n+](C)ccc12
Show InChI InChI=1S/C22H22N3O4/c1-4-12-13-6-7-24(3)10-17(13)23-19-14(12)9-25-18(19)8-16-15(20(25)26)11-29-21(27)22(16,28)5-2/h6-8,10,28H,4-5,9,11H2,1-3H3/q+1/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.46E+3n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.

J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair