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PubMed code 23312949

Compile data set for download or QSAR
Found 22 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
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428970
PNG
(CHEMBL2333209)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)C(C)=O |t:9|
Show InChI InChI=1S/C19H18N2O4/c1-12(22)21-17(14-5-8-18-19(9-14)25-11-24-18)10-16(20-21)13-3-6-15(23-2)7-4-13/h3-9,17H,10-11H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428969
PNG
(CHEMBL1487360)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C19H18N2O3/c1-12-3-5-14(6-4-12)16-10-17(21(20-16)13(2)22)15-7-8-18-19(9-15)24-11-23-18/h3-9,17H,10-11H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
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 2.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50338860
PNG
(1-(5-(Benzo[d][1,3]dioxol-6-yl)-4,5-dihydro-3-phen...)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H16N2O3/c1-12(21)20-16(10-15(19-20)13-5-3-2-4-6-13)14-7-8-17-18(9-14)23-11-22-17/h2-9,16H,10-11H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50338866
PNG
(1-(5-(Benzo[d][1,3]dioxol-6-yl)-3-(4-bromophenyl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C18H15BrN2O3/c1-11(22)21-16(13-4-7-17-18(8-13)24-10-23-17)9-15(20-21)12-2-5-14(19)6-3-12/h2-8,16H,9-10H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428968
PNG
(CHEMBL2333208)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C18H15ClN2O3/c1-11(22)21-16(13-4-7-17-18(8-13)24-10-23-17)9-15(20-21)12-2-5-14(19)6-3-12/h2-8,16H,9-10H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428967
PNG
(CHEMBL2333207)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C18H15FN2O3/c1-11(22)21-16(13-4-7-17-18(8-13)24-10-23-17)9-15(20-21)12-2-5-14(19)6-3-12/h2-8,16H,9-10H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428966
PNG
(CHEMBL2333210)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C18H15N3O5/c1-11(22)20-16(13-4-7-17-18(8-13)26-10-25-17)9-15(19-20)12-2-5-14(6-3-12)21(23)24/h2-8,16H,9-10H2,1H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428965
PNG
(CHEMBL2333216)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(C)=O |t:9|
Show InChI InChI=1S/C20H20N2O4/c1-13(23)22-18(15-5-8-19-20(11-15)26-10-9-25-19)12-17(21-22)14-3-6-16(24-2)7-4-14/h3-8,11,18H,9-10,12H2,1-2H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428964
PNG
(CHEMBL2333215)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C20H20N2O3/c1-13-3-5-15(6-4-13)17-12-18(22(21-17)14(2)23)16-7-8-19-20(11-16)25-10-9-24-19/h3-8,11,18H,9-10,12H2,1-2H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428963
PNG
(CHEMBL2333211)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCOc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C19H18N2O3/c1-13(22)21-17(12-16(20-21)14-5-3-2-4-6-14)15-7-8-18-19(11-15)24-10-9-23-18/h2-8,11,17H,9-10,12H2,1H3
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n/an/a 1.85E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428962
PNG
(CHEMBL2333214)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C19H17BrN2O3/c1-12(23)22-17(11-16(21-22)13-2-5-15(20)6-3-13)14-4-7-18-19(10-14)25-9-8-24-18/h2-7,10,17H,8-9,11H2,1H3
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n/an/a 2.29E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428961
PNG
(CHEMBL2333213)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C19H17ClN2O3/c1-12(23)22-17(11-16(21-22)13-2-5-15(20)6-3-13)14-4-7-18-19(10-14)25-9-8-24-18/h2-7,10,17H,8-9,11H2,1H3
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n/an/a 2.38E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428960
PNG
(CHEMBL2333212)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C19H17FN2O3/c1-12(23)22-17(11-16(21-22)13-2-5-15(20)6-3-13)14-4-7-18-19(10-14)25-9-8-24-18/h2-7,10,17H,8-9,11H2,1H3
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n/an/a 2.57E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428959
PNG
(CHEMBL2333217)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C19H17N3O5/c1-12(23)21-17(14-4-7-18-19(10-14)27-9-8-26-18)11-16(20-21)13-2-5-15(6-3-13)22(24)25/h2-7,10,17H,8-9,11H2,1H3
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n/an/a 3.74E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428958
PNG
(CHEMBL2333205)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCCOc2c1)C(C)=O |t:9|
Show InChI InChI=1S/C21H22N2O4/c1-14(24)23-19(13-18(22-23)15-4-7-17(25-2)8-5-15)16-6-9-20-21(12-16)27-11-3-10-26-20/h4-9,12,19H,3,10-11,13H2,1-2H3
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n/an/a 4.67E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428957
PNG
(CHEMBL2333204)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCCOc2c1)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C21H22N2O3/c1-14-4-6-16(7-5-14)18-13-19(23(22-18)15(2)24)17-8-9-20-21(12-17)26-11-3-10-25-20/h4-9,12,19H,3,10-11,13H2,1-2H3
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n/an/a 5.49E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428956
PNG
(CHEMBL2333218)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCCOc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2O3/c1-14(23)22-18(13-17(21-22)15-6-3-2-4-7-15)16-8-9-19-20(12-16)25-11-5-10-24-19/h2-4,6-9,12,18H,5,10-11,13H2,1H3
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n/an/a 6.83E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428955
PNG
(CHEMBL2333203)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCCOc2c1)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C20H19BrN2O3/c1-13(24)23-18(12-17(22-23)14-3-6-16(21)7-4-14)15-5-8-19-20(11-15)26-10-2-9-25-19/h3-8,11,18H,2,9-10,12H2,1H3
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n/an/a 7.64E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428954
PNG
(CHEMBL2333202)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCCOc2c1)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C20H19ClN2O3/c1-13(24)23-18(12-17(22-23)14-3-6-16(21)7-4-14)15-5-8-19-20(11-15)26-10-2-9-25-19/h3-8,11,18H,2,9-10,12H2,1H3
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n/an/a 8.26E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428953
PNG
(CHEMBL2333201)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCCOc2c1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H19FN2O3/c1-13(24)23-18(12-17(22-23)14-3-6-16(21)7-4-14)15-5-8-19-20(11-15)26-10-2-9-25-19/h3-8,11,18H,2,9-10,12H2,1H3
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Article
PubMed
n/an/a 8.36E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428952
PNG
(CHEMBL2333206)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCCCOc2c1)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C20H19N3O5/c1-13(24)22-18(15-5-8-19-20(11-15)28-10-2-9-27-19)12-17(21-22)14-3-6-16(7-4-14)23(25)26/h3-8,11,18H,2,9-10,12H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.32E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1091-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.010
BindingDB Entry DOI: 10.7270/Q2668FJ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%