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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'pettus' and Initial = 'tr'   
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
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
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n/an/a 60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by te...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 93n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells after 2 hrs by [alpha-32P]dGTP incorporation assay


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
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n/an/a 147n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction follo...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50157547
PNG
(2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1
Show InChI InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HEK293 cells by flashplate assay


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50157547
PNG
(2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1
Show InChI InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
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n/an/a 230n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by te...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50157547
PNG
(2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1
Show InChI InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
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n/an/a 250n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction follo...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 670n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human U937 cells by telomeric repeat amplification protocol


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human U937 cells


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction follo...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by te...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396098
PNG
(CHEMBL2170857)
Show SMILES COC(=O)c1cc2cc3CC[C@]4(CC5=C(O4)C(=O)c4c(O)c(OC)cc(OC)c4C5=O)Oc3c(O)c2c(=O)o1 |r,c:13|
Show InChI InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by te...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396098
PNG
(CHEMBL2170857)
Show SMILES COC(=O)c1cc2cc3CC[C@]4(CC5=C(O4)C(=O)c4c(O)c(OC)cc(OC)c4C5=O)Oc3c(O)c2c(=O)o1 |r,c:13|
Show InChI InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction follo...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396098
PNG
(CHEMBL2170857)
Show SMILES COC(=O)c1cc2cc3CC[C@]4(CC5=C(O4)C(=O)c4c(O)c(OC)cc(OC)c4C5=O)Oc3c(O)c2c(=O)o1 |r,c:13|
Show InChI InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
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n/an/a 3.06E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human K562 cells by modified telomeric repeat amplification protocol


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by te...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction follo...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by te...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction follo...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair