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PubMed code 10476878

Compile data set for download or QSAR
Found 8 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 I (Topo I)


(Homo sapiens (Human))
BDBM50080282
PNG
(6-(1-Hydroxy-heptyl)-5,8-dimethoxy-[1,4]naphthoqui...)
Show SMILES CCCCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC
Show InChI InChI=1S/C19H24O5/c1-4-5-6-7-8-13(20)12-11-16(23-2)17-14(21)9-10-15(22)18(17)19(12)24-3/h9-11,13,20H,4-8H2,1-3H3
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PubMed
n/an/a 3.01E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50080281
PNG
(6-(1-Hydroxy-hexyl)-5,8-dimethoxy-[1,4]naphthoquin...)
Show SMILES CCCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC
Show InChI InChI=1S/C18H22O5/c1-4-5-6-7-12(19)11-10-15(22-2)16-13(20)8-9-14(21)17(16)18(11)23-3/h8-10,12,19H,4-7H2,1-3H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50080285
PNG
(6-(1-Hydroxy-octyl)-5,8-dimethoxy-[1,4]naphthoquin...)
Show SMILES CCCCCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC
Show InChI InChI=1S/C20H26O5/c1-4-5-6-7-8-9-14(21)13-12-17(24-2)18-15(22)10-11-16(23)19(18)20(13)25-3/h10-12,14,21H,4-9H2,1-3H3
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n/an/a 4.39E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50080279
PNG
(6-(1-Hydroxy-pentyl)-5,8-dimethoxy-[1,4]naphthoqui...)
Show SMILES CCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC
Show InChI InChI=1S/C17H20O5/c1-4-5-6-11(18)10-9-14(21-2)15-12(19)7-8-13(20)16(15)17(10)22-3/h7-9,11,18H,4-6H2,1-3H3
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n/an/a 8.31E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50080278
PNG
(6-(1-Hydroxy-ethyl)-5,8-dimethoxy-[1,4]naphthoquin...)
Show SMILES COc1cc(C(C)O)c(OC)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C14H14O5/c1-7(15)8-6-11(18-2)12-9(16)4-5-10(17)13(12)14(8)19-3/h4-7,15H,1-3H3
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PubMed
n/an/a 1.11E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50080284
PNG
(6-(1-Hydroxy-propyl)-5,8-dimethoxy-[1,4]naphthoqui...)
Show SMILES CCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC
Show InChI InChI=1S/C15H16O5/c1-4-9(16)8-7-12(19-2)13-10(17)5-6-11(18)14(13)15(8)20-3/h5-7,9,16H,4H2,1-3H3
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n/an/a 1.22E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50080283
PNG
(6-(1-Hydroxy-butyl)-5,8-dimethoxy-[1,4]naphthoquin...)
Show SMILES CCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC
Show InChI InChI=1S/C16H18O5/c1-4-5-10(17)9-8-13(20-2)14-11(18)6-7-12(19)15(14)16(9)21-3/h6-8,10,17H,4-5H2,1-3H3
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n/an/a 1.30E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50080280
PNG
(2-(1-Hydroxy-ethyl)-5,8-dimethoxy-[1,4]naphthoquin...)
Show SMILES COc1ccc(OC)c2c(O)c(cc(O)c12)C(C)=O
Show InChI InChI=1S/C14H14O5/c1-7(15)8-6-9(16)12-10(18-2)4-5-11(19-3)13(12)14(8)17/h4-6,16-17H,1-3H3
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n/an/a>1.50E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus


Bioorg Med Chem Lett 9: 2407-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00397-2
BindingDB Entry DOI: 10.7270/Q2TH8KVH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%