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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50045343   
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))
BDBM50058033
PNG
(CHEMBL3330787)
Show SMILES Cl.CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2sccc12
Show InChI InChI=1S/C22H24N6O2S.ClH/c1-25-7-8-26-17-14-6-11-31-21(14)18(27-9-10-28-22(23)24)16-15(17)19(29)12-4-2-3-5-13(12)20(16)30;/h2-6,11,25-27H,7-10H2,1H3,(H4,23,24,28);1H
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PubMed
n/an/a 50n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058035
PNG
(CHEMBL3330789)
Show SMILES Cl.NCCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
Show InChI InChI=1S/C22H24N6O2S.ClH/c23-7-3-8-26-18-16-15(19(29)12-4-1-2-5-13(12)20(16)30)17(14-6-11-31-21(14)18)27-9-10-28-22(24)25;/h1-2,4-6,11,26-27H,3,7-10,23H2,(H4,24,25,28);1H
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n/an/a 70n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058037
PNG
(CHEMBL3330791)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2sccc12
Show InChI InChI=1S/C22H24N8O2S.ClH/c23-21(24)29-8-6-27-16-13-5-10-33-20(13)17(28-7-9-30-22(25)26)15-14(16)18(31)11-3-1-2-4-12(11)19(15)32;/h1-5,10,27-28H,6-9H2,(H4,23,24,29)(H4,25,26,30);1H
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n/an/a 80n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058034
PNG
(CHEMBL3330788)
Show SMILES Cl.NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
Show InChI InChI=1S/C21H22N6O2S.ClH/c22-6-7-25-17-15-14(18(28)11-3-1-2-4-12(11)19(15)29)16(13-5-10-30-20(13)17)26-8-9-27-21(23)24;/h1-5,10,25-26H,6-9,22H2,(H4,23,24,27);1H
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n/an/a 100n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058029
PNG
(CHEMBL3330786)
Show SMILES Cl.CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
Show InChI InChI=1S/C22H24N6O2S.ClH/c1-25-7-8-27-18-16-15(19(29)12-4-2-3-5-13(12)20(16)30)17(14-6-11-31-21(14)18)26-9-10-28-22(23)24;/h2-6,11,25-27H,7-10H2,1H3,(H4,23,24,28);1H
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n/an/a 300n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058038
PNG
(CHEMBL3359606)
Show SMILES Cl.CC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(C)=N)c2sccc12
Show InChI InChI=1S/C24H26N6O2S.ClH/c1-13(25)27-8-10-29-20-17-7-12-33-24(17)21(30-11-9-28-14(2)26)19-18(20)22(31)15-5-3-4-6-16(15)23(19)32;/h3-7,12,29-30H,8-11H2,1-2H3,(H2,25,27)(H2,26,28);1H
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n/an/a 300n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058038
PNG
(CHEMBL3359606)
Show SMILES Cl.CC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(C)=N)c2sccc12
Show InChI InChI=1S/C24H26N6O2S.ClH/c1-13(25)27-8-10-29-20-17-7-12-33-24(17)21(30-11-9-28-14(2)26)19-18(20)22(31)15-5-3-4-6-16(15)23(19)32;/h3-7,12,29-30H,8-11H2,1-2H3,(H2,25,27)(H2,26,28);1H
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n/an/a 470n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058030
PNG
(CHEMBL3330785)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(N)c2ccsc12
Show InChI InChI=1S/C19H17N5O2S.ClH/c20-14-11-5-8-27-18(11)15(23-6-7-24-19(21)22)13-12(14)16(25)9-3-1-2-4-10(9)17(13)26;/h1-5,8,23H,6-7,20H2,(H4,21,22,24);1H
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n/an/a 500n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058036
PNG
(CHEMBL3330790)
Show SMILES Cl.CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c2sccc12
Show InChI InChI=1S/C22H24N4O2S.ClH/c1-23-8-10-25-18-15-7-12-29-22(15)19(26-11-9-24-2)17-16(18)20(27)13-5-3-4-6-14(13)21(17)28;/h3-7,12,23-26H,8-11H2,1-2H3;1H
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n/an/a 500n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058029
PNG
(CHEMBL3330786)
Show SMILES Cl.CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
Show InChI InChI=1S/C22H24N6O2S.ClH/c1-25-7-8-27-18-16-15(19(29)12-4-2-3-5-13(12)20(16)30)17(14-6-11-31-21(14)18)26-9-10-28-22(23)24;/h2-6,11,25-27H,7-10H2,1H3,(H4,23,24,28);1H
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n/an/a 600n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058036
PNG
(CHEMBL3330790)
Show SMILES Cl.CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c2sccc12
Show InChI InChI=1S/C22H24N4O2S.ClH/c1-23-8-10-25-18-15-7-12-29-22(15)19(26-11-9-24-2)17-16(18)20(27)13-5-3-4-6-14(13)21(17)28;/h3-7,12,23-26H,8-11H2,1-2H3;1H
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n/an/a 700n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058037
PNG
(CHEMBL3330791)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2sccc12
Show InChI InChI=1S/C22H24N8O2S.ClH/c23-21(24)29-8-6-27-16-13-5-10-33-20(13)17(28-7-9-30-22(25)26)15-14(16)18(31)11-3-1-2-4-12(11)19(15)32;/h1-5,10,27-28H,6-9H2,(H4,23,24,29)(H4,25,26,30);1H
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n/an/a 700n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058035
PNG
(CHEMBL3330789)
Show SMILES Cl.NCCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
Show InChI InChI=1S/C22H24N6O2S.ClH/c23-7-3-8-26-18-16-15(19(29)12-4-1-2-5-13(12)20(16)30)17(14-6-11-31-21(14)18)27-9-10-28-22(24)25;/h1-2,4-6,11,26-27H,3,7-10,23H2,(H4,24,25,28);1H
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n/an/a 700n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058034
PNG
(CHEMBL3330788)
Show SMILES Cl.NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
Show InChI InChI=1S/C21H22N6O2S.ClH/c22-6-7-25-17-15-14(18(28)11-3-1-2-4-12(11)19(15)29)16(13-5-10-30-20(13)17)26-8-9-27-21(23)24;/h1-5,10,25-26H,6-9,22H2,(H4,23,24,27);1H
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n/an/a 800n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058031
PNG
(CHEMBL3330784)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(N)c2sccc12
Show InChI InChI=1S/C19H17N5O2S.ClH/c20-14-12-13(17(26)10-4-2-1-3-9(10)16(12)25)15(11-5-8-27-18(11)14)23-6-7-24-19(21)22;/h1-5,8,23H,6-7,20H2,(H4,21,22,24);1H
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n/an/a 900n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058033
PNG
(CHEMBL3330787)
Show SMILES Cl.CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2sccc12
Show InChI InChI=1S/C22H24N6O2S.ClH/c1-25-7-8-26-17-14-6-11-31-21(14)18(27-9-10-28-22(23)24)16-15(17)19(29)12-4-2-3-5-13(12)20(16)30;/h2-6,11,25-27H,7-10H2,1H3,(H4,23,24,28);1H
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n/an/a 1.10E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058031
PNG
(CHEMBL3330784)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(N)c2sccc12
Show InChI InChI=1S/C19H17N5O2S.ClH/c20-14-12-13(17(26)10-4-2-1-3-9(10)16(12)25)15(11-5-8-27-18(11)14)23-6-7-24-19(21)22;/h1-5,8,23H,6-7,20H2,(H4,21,22,24);1H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058030
PNG
(CHEMBL3330785)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(N)c2ccsc12
Show InChI InChI=1S/C19H17N5O2S.ClH/c20-14-11-5-8-27-18(11)15(23-6-7-24-19(21)22)13-12(14)16(25)9-3-1-2-4-10(9)17(13)26;/h1-5,8,23H,6-7,20H2,(H4,21,22,24);1H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058032
PNG
(CHEMBL3330783)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(N)c2sccc12
Show InChI InChI=1S/C16H10N2O2S/c17-12-9-5-6-21-16(9)13(18)11-10(12)14(19)7-3-1-2-4-8(7)15(11)20/h1-6H,17-18H2
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058032
PNG
(CHEMBL3330783)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(N)c2sccc12
Show InChI InChI=1S/C16H10N2O2S/c17-12-9-5-6-21-16(9)13(18)11-10(12)14(19)7-3-1-2-4-8(7)15(11)20/h1-6H,17-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair