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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P04786   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50090044
PNG
((Z)-2',3'-dihydroxy-3,4,4',5-tetramethoxystilbene ...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Show InChI InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-
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PubMed
n/an/a 4.81E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in galactose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)


Article DOI: 10.1021/np9904410
BindingDB Entry DOI: 10.7270/Q2930WZR
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50090044
PNG
((Z)-2',3'-dihydroxy-3,4,4',5-tetramethoxystilbene ...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Show InChI InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-
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n/an/a 5.71E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in glucose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)


Article DOI: 10.1021/np9904410
BindingDB Entry DOI: 10.7270/Q2930WZR
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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PubMed
n/an/a 2.08E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in galactose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)


Article DOI: 10.1021/np9904410
BindingDB Entry DOI: 10.7270/Q2930WZR
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 2.33E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in glucose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)


Article DOI: 10.1021/np9904410
BindingDB Entry DOI: 10.7270/Q2930WZR
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50478907
PNG
(CHEMBL497532)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O |r|
Show InChI InChI=1S/C24H32O11/c1-30-14-8-7-13(6-5-12-9-15(31-2)23(33-4)16(10-12)32-3)22(19(14)27)35-24-21(29)20(28)18(26)17(11-25)34-24/h7-10,17-18,20-21,24-29H,5-6,11H2,1-4H3/t17-,18-,20+,21-,24+/m0/s1
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n/an/a 1.38E+5n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in galactose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)


Article DOI: 10.1021/np9904410
BindingDB Entry DOI: 10.7270/Q2930WZR
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Saccharomyces cerevisiae S288c)
BDBM50478907
PNG
(CHEMBL497532)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O |r|
Show InChI InChI=1S/C24H32O11/c1-30-14-8-7-13(6-5-12-9-15(31-2)23(33-4)16(10-12)32-3)22(19(14)27)35-24-21(29)20(28)18(26)17(11-25)34-24/h7-10,17-18,20-21,24-29H,5-6,11H2,1-4H3/t17-,18-,20+,21-,24+/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a>2.01E+5n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in glucose medium by microtiter plate assay


J Nat Prod 63: 457-60 (2000)


Article DOI: 10.1021/np9904410
BindingDB Entry DOI: 10.7270/Q2930WZR
More data for this
Ligand-Target Pair