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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50011334   
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))
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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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from RNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
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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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from DNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
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 3.30E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from underivatized resin


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM24709
PNG
(6,9-Diamino-2-Ethoxyacridine | 7-ethoxyacridine-3,...)
Show SMILES CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
Show InChI InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from underivatized resin


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM24709
PNG
(6,9-Diamino-2-Ethoxyacridine | 7-ethoxyacridine-3,...)
Show SMILES CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
Show InChI InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from DNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM24709
PNG
(6,9-Diamino-2-Ethoxyacridine | 7-ethoxyacridine-3,...)
Show SMILES CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
Show InChI InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from underivatized resin


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105462
PNG
(CHEMBL81880 | N,N,N',N'-Tetramethyl-acridine-3,6-d...)
Show SMILES CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
Show InChI InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from RNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105462
PNG
(CHEMBL81880 | N,N,N',N'-Tetramethyl-acridine-3,6-d...)
Show SMILES CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
Show InChI InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from DNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105462
PNG
(CHEMBL81880 | N,N,N',N'-Tetramethyl-acridine-3,6-d...)
Show SMILES CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
Show InChI InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from RNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105464
PNG
(2,7-Dimethyl-acridine-3,6-diamine | CHEMBL329221)
Show SMILES Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
Show InChI InChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3
PDB

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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from underivatized resin


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105464
PNG
(2,7-Dimethyl-acridine-3,6-diamine | CHEMBL329221)
Show SMILES Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
Show InChI InChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from RNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105464
PNG
(2,7-Dimethyl-acridine-3,6-diamine | CHEMBL329221)
Show SMILES Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
Show InChI InChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against telomerase (Compound released from DNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)


Bioorg Med Chem Lett 11: 2727-30 (2001)


BindingDB Entry DOI: 10.7270/Q2PN94XJ
More data for this
Ligand-Target Pair