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PubMed code 12444712

Compile data set for download or QSAR
Found 3 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))
BDBM50250903
PNG
((5Z,9Z)-5,9-heptacosadienoic acid | CHEMBL463437)
Show SMILES CCCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O
Show InChI InChI=1S/C27H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-
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PC cid
PC sid
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PubMed
n/an/a 900n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1


J Nat Prod 65: 1715-8 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7HFB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 (unknown origin)


J Nat Prod 65: 1715-8 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7HFB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50250904
PNG
(CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 (unknown origin)


J Nat Prod 65: 1715-8 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7HFB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%