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Compile Data Set for Download or QSAR

Found 32 hits from Anhui University of Technology   
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 Gyrase


(Staphylococcus aureus)
BDBM50479689
PNG
(CHEMBL518413)
Show SMILES Cc1oc(nc1N1N=C(CC1N1CCc2ccccc2C1)c1ccc(cc1)-c1ccco1)-c1ccc(F)cc1F
Show InChI InChI=1S/C32H26F2N4O2/c1-20-31(35-32(40-20)26-13-12-25(33)17-27(26)34)38-30(37-15-14-21-5-2-3-6-24(21)19-37)18-28(36-38)22-8-10-23(11-9-22)29-7-4-16-39-29/h2-13,16-17,30H,14-15,18-19H2,1H3
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n/an/a 232n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478755
PNG
(CHEMBL458367)
Show SMILES C\C(=N\OC(=O)c1ccco1)N1N=C(CC1c1ccccc1F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H16Cl2FN3O3/c1-13(27-31-22(29)21-7-4-10-30-21)28-20(16-5-2-3-6-18(16)25)12-19(26-28)15-9-8-14(23)11-17(15)24/h2-11,20H,12H2,1H3/b27-13-
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n/an/a 271n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478754
PNG
(CHEMBL515530)
Show SMILES COC1CC(=NN1\C(C)=N/OC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H18F3N3O3/c1-13(25-29-19(27)15-8-10-16(11-9-15)20(21,22)23)26-18(28-2)12-17(24-26)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3/b25-13-
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n/an/a 308n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/s2
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n/an/a 408n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase


(Staphylococcus aureus)
BDBM50479687
PNG
(CHEMBL500220)
Show SMILES COc1ccc2CCN(Cc2c1)C1CC(=NN1c1nc(oc1C)-c1ccccc1C(F)(F)F)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C34H29F3N4O3/c1-21-32(38-33(44-21)27-6-3-4-7-28(27)34(35,36)37)41-31(40-16-15-22-13-14-26(42-2)18-25(22)20-40)19-29(39-41)23-9-11-24(12-10-23)30-8-5-17-43-30/h3-14,17-18,31H,15-16,19-20H2,1-2H3
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n/an/a 417n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479690
PNG
(CHEMBL446121)
Show SMILES COc1ccc2CCN(Cc2c1)C1CC(=NN1c1nc(oc1C)-c1ccc(F)cc1F)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C33H28F2N4O3/c1-20-32(36-33(42-20)27-12-10-25(34)17-28(27)35)39-31(38-14-13-21-9-11-26(40-2)16-24(21)19-38)18-29(37-39)22-5-7-23(8-6-22)30-4-3-15-41-30/h3-12,15-17,31H,13-14,18-19H2,1-2H3
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n/an/a 441n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/s2
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n/an/a 457n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase


(Staphylococcus aureus)
BDBM50479685
PNG
(CHEMBL474679)
Show SMILES COc1ccc2CCN(Cc2c1)C1CC(=NN1c1nc(oc1C)-c1ccc(F)cc1F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H24Cl2F2N4O2/c1-16-28(34-29(39-16)23-8-5-20(32)13-25(23)33)37-27(14-26(35-37)22-7-4-19(30)12-24(22)31)36-10-9-17-3-6-21(38-2)11-18(17)15-36/h3-8,11-13,27H,9-10,14-15H2,1-2H3
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n/an/a 878n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479683
PNG
(CHEMBL455851)
Show SMILES Cc1oc(nc1N1N=C(CC1N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl)-c1ccc(F)cc1F
Show InChI InChI=1S/C28H22Cl2F2N4O/c1-16-27(33-28(37-16)22-9-7-20(31)13-24(22)32)36-26(35-11-10-17-4-2-3-5-18(17)15-35)14-25(34-36)21-8-6-19(29)12-23(21)30/h2-9,12-13,26H,10-11,14-15H2,1H3
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n/an/a 926n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478757
PNG
(CHEMBL513945)
Show SMILES C\C(=N\OC(=O)c1ccco1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H16Cl2F3N3O3/c1-13(30-34-22(32)21-3-2-10-33-21)31-20(14-4-6-15(7-5-14)23(26,27)28)12-19(29-31)17-9-8-16(24)11-18(17)25/h2-11,20H,12H2,1H3/b30-13-
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n/an/a 979n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478758
PNG
(CHEMBL463832)
Show SMILES CC1=NN2C(C1)c1ccccc1CC2(C)C
Show InChI InChI=1S/C14H18N2/c1-10-8-13-12-7-5-4-6-11(12)9-14(2,3)16(13)15-10/h4-7,13H,8-9H2,1-3H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478756
PNG
(CHEMBL457095)
Show SMILES C\C(=N\OC(=O)C=C)N1N=C(CC1c1ccccc1F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H16Cl2FN3O2/c1-3-20(27)28-25-12(2)26-19(15-6-4-5-7-17(15)23)11-18(24-26)14-9-8-13(21)10-16(14)22/h3-10,19H,1,11H2,2H3/b25-12-
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n/an/a 1.18E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327442
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2c(Br)cccc2oc1=O
Show InChI InChI=1/C20H15BrN2O3/c1-12(24)23-18(13-6-3-2-4-7-13)11-17(22-23)15-10-14-16(21)8-5-9-19(14)26-20(15)25/h2-10,18H,11H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327440
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H16N2O3/c1-13(23)22-18(14-7-3-2-4-8-14)12-17(21-22)16-11-15-9-5-6-10-19(15)25-20(16)24/h2-11,18H,12H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105463
PNG
(2,7-diamino-10-ethyl-9-phenylphenanthridinium brom...)
Show SMILES CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50327442
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2c(Br)cccc2oc1=O
Show InChI InChI=1/C20H15BrN2O3/c1-12(24)23-18(13-6-3-2-4-7-13)11-17(22-23)15-10-14-16(21)8-5-9-19(14)26-20(15)25/h2-10,18H,11H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327443
PNG
(3-(1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyr...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(O)cc1)c1cc2c(Br)cccc2oc1=O
Show InChI InChI=1/C20H15BrN2O4/c1-11(24)23-18(12-5-7-13(25)8-6-12)10-17(22-23)15-9-14-16(21)3-2-4-19(14)27-20(15)26/h2-9,18,25H,10H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50327440
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H16N2O3/c1-13(23)22-18(14-7-3-2-4-8-14)12-17(21-22)16-11-15-9-5-6-10-19(15)25-20(16)24/h2-11,18H,12H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327439
PNG
(3-(1-acetyl-5-(2-chlorophenyl)-4,5-dihydro-1H-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1Cl)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H15ClN2O3/c1-12(24)23-18(14-7-3-4-8-16(14)21)11-17(22-23)15-10-13-6-2-5-9-19(13)26-20(15)25/h2-10,18H,11H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478752
PNG
(CHEMBL463657)
Show SMILES C\C(=N\OC(=O)c1cccnc1)N1N=C(C)CC1c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H23FN4O3/c1-17-14-24(30(28-17)18(2)29-33-25(31)21-4-3-13-27-15-21)20-7-11-23(12-8-20)32-16-19-5-9-22(26)10-6-19/h3-13,15,24H,14,16H2,1-2H3/b29-18-
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n/an/a 7.83E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479686
PNG
(CHEMBL476829)
Show SMILES COc1ccc2CCN(Cc2c1)C1CC(=NN1c1nc(oc1C)-c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C29H26F2N4O2/c1-18-28(32-29(37-18)23-8-4-6-10-25(23)31)35-27(16-26(33-35)22-7-3-5-9-24(22)30)34-14-13-19-11-12-21(36-2)15-20(19)17-34/h3-12,15,27H,13-14,16-17H2,1-2H3
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n/an/a 7.99E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327441
PNG
(3-(1-acetyl-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H14Cl2N2O3/c1-11(25)24-18(14-7-6-13(21)9-16(14)22)10-17(23-24)15-8-12-4-2-3-5-19(12)27-20(15)26/h2-9,18H,10H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50327443
PNG
(3-(1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyr...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(O)cc1)c1cc2c(Br)cccc2oc1=O
Show InChI InChI=1/C20H15BrN2O4/c1-11(24)23-18(12-5-7-13(25)8-6-12)10-17(22-23)15-9-14-16(21)3-2-4-19(14)27-20(15)26/h2-9,18,25H,10H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479688
PNG
(CHEMBL458024)
Show SMILES Cc1oc(nc1N1N=C(CC1N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl)-c1ccccc1F
Show InChI InChI=1S/C28H23Cl2FN4O/c1-17-27(32-28(36-17)22-8-4-5-9-24(22)31)35-26(34-13-12-18-6-2-3-7-19(18)16-34)15-25(33-35)21-11-10-20(29)14-23(21)30/h2-11,14,26H,12-13,15-16H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478753
PNG
(CHEMBL457468)
Show SMILES COC1CC(=NN1\C(C)=N/OC(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C17H17N3O4/c1-12(19-24-17(21)15-9-6-10-23-15)20-16(22-2)11-14(18-20)13-7-4-3-5-8-13/h3-10,16H,11H2,1-2H3/b19-12-
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n/an/a 1.22E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50327439
PNG
(3-(1-acetyl-5-(2-chlorophenyl)-4,5-dihydro-1H-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1Cl)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H15ClN2O3/c1-12(24)23-18(14-7-3-4-8-16(14)21)11-17(22-23)15-10-13-6-2-5-9-19(13)26-20(15)25/h2-10,18H,11H2,1H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50327441
PNG
(3-(1-acetyl-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H14Cl2N2O3/c1-11(25)24-18(14-7-6-13(21)9-16(14)22)10-17(23-24)15-8-12-4-2-3-5-19(12)27-20(15)26/h2-9,18H,10H2,1H3
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n/an/a 2.07E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327438
PNG
(3-(1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyr...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(O)cc1)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H16N2O4/c1-12(23)22-18(13-6-8-15(24)9-7-13)11-17(21-22)16-10-14-4-2-3-5-19(14)26-20(16)25/h2-10,18,24H,11H2,1H3
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n/an/a 2.91E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327444
PNG
(3-(1-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyr...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1cc2ccccc2oc1=O
Show InChI InChI=1/C21H18N2O4/c1-13(24)23-19(14-7-9-16(26-2)10-8-14)12-18(22-23)17-11-15-5-3-4-6-20(15)27-21(17)25/h3-11,19H,12H2,1-2H3
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n/an/a 3.67E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50327438
PNG
(3-(1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyr...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(O)cc1)c1cc2ccccc2oc1=O
Show InChI InChI=1/C20H16N2O4/c1-12(23)22-18(13-6-8-15(24)9-7-13)11-17(21-22)16-10-14-4-2-3-5-19(14)26-20(16)25/h2-10,18,24H,11H2,1H3
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n/an/a 5.85E+4n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479684
PNG
(TETRAPHENYLPHOSPHONIUM_CHLORIDE)
Show SMILES Cc1oc(nc1N1N=C(CC1N1CCc2ccccc2C1)c1ccccc1F)-c1ccccc1C=C
Show InChI InChI=1S/C30H27FN4O/c1-3-21-10-6-7-13-24(21)30-32-29(20(2)36-30)35-28(18-27(33-35)25-14-8-9-15-26(25)31)34-17-16-22-11-4-5-12-23(22)19-34/h3-15,28H,1,16-19H2,2H3
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n/an/a>2.61E+5n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478751
PNG
(CHEMBL458404)
Show SMILES CCC(=O)O\N=C(\C)N1N=C(C)CC1c1ccccc1OCc1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O3/c1-4-22(27)29-25-16(3)26-20(13-15(2)24-26)19-7-5-6-8-21(19)28-14-17-9-11-18(23)12-10-17/h5-12,20H,4,13-14H2,1-3H3/b25-16-
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n/an/a>3.14E+5n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)

More data for this
Ligand-Target Pair