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PubMed code 25913198

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))		BDBM50087878
PNG
(CHEMBL3426919)
Show SMILES OC(=O)CCC\C=C/CC\C=C/Cc1ccccc1
Show InChI InChI=1S/C17H22O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h2,4-5,7-10,13-14H,1,3,6,11-12,15H2,(H,18,19)/b4-2-,8-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Russian Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1-mediated DNA cleavage assessed as accumulation of nicked DNA by ethidium bromide staining based electrophoregram

Bioorg Med Chem Lett 25: 2405-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.011
BindingDB Entry DOI: 10.7270/Q2G44S1T
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50087876
PNG
(CHEMBL3426918)
Show SMILES CCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,21,22)/b12-11-,16-15-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Russian Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1-mediated DNA cleavage assessed as accumulation of nicked DNA by ethidium bromide staining based electrophoregram

Bioorg Med Chem Lett 25: 2405-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.011
BindingDB Entry DOI: 10.7270/Q2G44S1T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%