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PubMed code 11909720

Compile data set for download or QSAR
Found 8 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))		BDBM50111322
PNG
(CHEMBL274335 | N,N-Dimethyl-N'-(11-nitro-13H-5,13-...)
Show SMILES CN(C)CCCNc1nc2ccccc2c2[nH]c3c(ccc4ccc(cc34)[N+]([O-])=O)c12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)13-5-12-25-24-21-18-11-9-15-8-10-16(29(30)31)14-19(15)22(18)27-23(21)17-6-3-4-7-20(17)26-24/h3-4,6-11,14,27H,5,12-13H2,1-2H3,(H,25,26)
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n/an/a 500n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Telomerase in telomerase repeat amplification protocol (TRAP) assay

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
DNA polymerase I, thermostable


(Thermus aquaticus)		BDBM50111320
PNG
(CHEMBL274096 | N'-(10-Methoxy-13H-5,13-diaza-diben...)
Show SMILES COc1ccc2c3[nH]c4c(c(NCCCN(C)C)nc5ccccc45)c3ccc2c1
Show InChI InChI=1S/C25H26N4O/c1-29(2)14-6-13-26-25-22-20-11-9-16-15-17(30-3)10-12-18(16)23(20)28-24(22)19-7-4-5-8-21(19)27-25/h4-5,7-12,15,28H,6,13-14H2,1-3H3,(H,26,27)
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n/an/a 900n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Taq DNA polymerase

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))		BDBM50111320
PNG
(CHEMBL274096 | N'-(10-Methoxy-13H-5,13-diaza-diben...)
Show SMILES COc1ccc2c3[nH]c4c(c(NCCCN(C)C)nc5ccccc45)c3ccc2c1
Show InChI InChI=1S/C25H26N4O/c1-29(2)14-6-13-26-25-22-20-11-9-16-15-17(30-3)10-12-18(16)23(20)28-24(22)19-7-4-5-8-21(19)27-25/h4-5,7-12,15,28H,6,13-14H2,1-3H3,(H,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Telomerase in telomerase repeat amplification protocol (TRAP) assay

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))		BDBM50111323
PNG
(CHEMBL276202 | N'-(11-Methoxy-13H-5,13-diaza-diben...)
Show SMILES COc1ccc2ccc3c([nH]c4c3c(NCCCN(C)C)nc3ccccc43)c2c1
Show InChI InChI=1S/C25H26N4O/c1-29(2)14-6-13-26-25-22-19-12-10-16-9-11-17(30-3)15-20(16)23(19)28-24(22)18-7-4-5-8-21(18)27-25/h4-5,7-12,15,28H,6,13-14H2,1-3H3,(H,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Telomerase in telomerase repeat amplification protocol (TRAP) assay

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
DNA polymerase I, thermostable


(Thermus aquaticus)		BDBM50111323
PNG
(CHEMBL276202 | N'-(11-Methoxy-13H-5,13-diaza-diben...)
Show SMILES COc1ccc2ccc3c([nH]c4c3c(NCCCN(C)C)nc3ccccc43)c2c1
Show InChI InChI=1S/C25H26N4O/c1-29(2)14-6-13-26-25-22-19-12-10-16-9-11-17(30-3)15-20(16)23(19)28-24(22)18-7-4-5-8-21(18)27-25/h4-5,7-12,15,28H,6,13-14H2,1-3H3,(H,26,27)
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n/an/a 2.20E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Taq DNA polymerase

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
DNA polymerase I, thermostable


(Thermus aquaticus)		BDBM50111322
PNG
(CHEMBL274335 | N,N-Dimethyl-N'-(11-nitro-13H-5,13-...)
Show SMILES CN(C)CCCNc1nc2ccccc2c2[nH]c3c(ccc4ccc(cc34)[N+]([O-])=O)c12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)13-5-12-25-24-21-18-11-9-15-8-10-16(29(30)31)14-19(15)22(18)27-23(21)17-6-3-4-7-20(17)26-24/h3-4,6-11,14,27H,5,12-13H2,1-2H3,(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Taq DNA polymerase

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))		BDBM50111321
PNG
(CHEMBL10763 | N'-(11-Methoxy-13H-5,13-diaza-dibenz...)
Show SMILES COc1ccc2ccc3c([nH]c4c3c(NCCN(C)C)nc3ccccc43)c2c1
Show InChI InChI=1S/C24H24N4O/c1-28(2)13-12-25-24-21-18-11-9-15-8-10-16(29-3)14-19(15)22(18)27-23(21)17-6-4-5-7-20(17)26-24/h4-11,14,27H,12-13H2,1-3H3,(H,25,26)
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n/an/a 9.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Telomerase in telomerase repeat amplification protocol (TRAP) assay

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
DNA polymerase I, thermostable


(Thermus aquaticus)		BDBM50111321
PNG
(CHEMBL10763 | N'-(11-Methoxy-13H-5,13-diaza-dibenz...)
Show SMILES COc1ccc2ccc3c([nH]c4c3c(NCCN(C)C)nc3ccccc43)c2c1
Show InChI InChI=1S/C24H24N4O/c1-28(2)13-12-25-24-21-18-11-9-15-8-10-16(29-3)14-19(15)22(18)27-23(21)17-6-4-5-7-20(17)26-24/h4-11,14,27H,12-13H2,1-3H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Taq DNA polymerase

Bioorg Med Chem Lett 12: 1071-4 (2002)


BindingDB Entry DOI: 10.7270/Q2RJ4HS0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%