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Compile Data Set for Download or QSAR

Found 14 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
Telomerase reverse transcriptase


(Homo sapiens)
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=1S/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)
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=1S/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)
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
Telomerase reverse transcriptase


(Homo sapiens)
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=1S/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)
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=1S/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
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=1S/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)
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=1S/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
Telomerase reverse transcriptase


(Homo sapiens)
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=1S/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=1S/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
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=1S/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=1S/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)
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=1S/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)
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=1S/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=1S/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