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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'hong' and Initial = 'ci'   
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))
BDBM50124745
PNG
(2-(2,6-Dichloro-benzylsulfanyl)-6-{[(E)-2-methyl-p...)
Show SMILES Cc1ncccc1\N=C\c1ccc(C#N)c(SCc2c(Cl)cccc2Cl)n1
Show InChI InChI=1S/C20H14Cl2N4S/c1-13-19(6-3-9-24-13)25-11-15-8-7-14(10-23)20(26-15)27-12-16-17(21)4-2-5-18(16)22/h2-9,11H,12H2,1H3/b25-11+
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124726
PNG
(2-(2,6-Dichloro-benzylsulfanyl)-6-formyl-nicotinon...)
Show SMILES Clc1cccc(Cl)c1CSc1nc(C=O)ccc1C#N
Show InChI InChI=1S/C14H8Cl2N2OS/c15-12-2-1-3-13(16)11(12)8-20-14-9(6-17)4-5-10(7-19)18-14/h1-5,7H,8H2
PDB

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n/an/a 7.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity of compound against HT-29 (human colon caner ) cell line was determined by SRB assay


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124725
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichlo...)
Show SMILES Clc1ccc(SC(=O)c2cccc(C=O)n2)cc1Cl
Show InChI InChI=1S/C13H7Cl2NO2S/c14-10-5-4-9(6-11(10)15)19-13(18)12-3-1-2-8(7-17)16-12/h1-7H
PDB

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n/an/a 2.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124734
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(4-chloro-p...)
Show SMILES Clc1ccc(SC(=O)c2cccc(C=O)n2)cc1
Show InChI InChI=1S/C13H8ClNO2S/c14-9-4-6-11(7-5-9)18-13(17)12-3-1-2-10(8-16)15-12/h1-8H
PDB

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



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124725
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichlo...)
Show SMILES Clc1ccc(SC(=O)c2cccc(C=O)n2)cc1Cl
Show InChI InChI=1S/C13H7Cl2NO2S/c14-10-5-4-9(6-11(10)15)19-13(18)12-3-1-2-8(7-17)16-12/h1-7H
PDB

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n/an/a 3.31E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase (Acc Gerons data)


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124737
PNG
(6-Formyl-pyridine-2-carbothioic acid 2,4,6-trichlo...)
Show SMILES Clc1cc(Cl)c(SC(=O)c2cccc(C=O)n2)c(Cl)c1
Show InChI InChI=1S/C13H6Cl3NO2S/c14-7-4-9(15)12(10(16)5-7)20-13(19)11-3-1-2-8(6-18)17-11/h1-6H
PDB

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n/an/a 5.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124742
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(4-bromo-ph...)
Show SMILES Brc1ccc(SC(=O)c2cccc(C=O)n2)cc1
Show InChI InChI=1S/C13H8BrNO2S/c14-9-4-6-11(7-5-9)18-13(17)12-3-1-2-10(8-16)15-12/h1-8H
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n/an/a 5.60E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124731
PNG
(6-Formyl-pyridine-2-carbothioic acid 3,5-dichloro-...)
Show SMILES Clc1cc(Cl)cc(SC(=O)c2cccc(C=O)n2)c1
Show InChI InChI=1S/C13H7Cl2NO2S/c14-8-4-9(15)6-11(5-8)19-13(18)12-3-1-2-10(7-17)16-12/h1-7H
PDB

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n/an/a 6.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124727
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(4-fluoro-p...)
Show SMILES Fc1ccc(SC(=O)c2cccc(C=O)n2)cc1
Show InChI InChI=1S/C13H8FNO2S/c14-9-4-6-11(7-5-9)18-13(17)12-3-1-2-10(8-16)15-12/h1-8H
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n/an/a 6.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124741
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(2,5-dichlo...)
Show SMILES Clc1ccc(Cl)c(SC(=O)c2cccc(C=O)n2)c1
Show InChI InChI=1S/C13H7Cl2NO2S/c14-8-4-5-10(15)12(6-8)19-13(18)11-3-1-2-9(7-17)16-11/h1-7H
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n/an/a 6.80E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124736
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(3,4-difluo...)
Show SMILES Fc1ccc(SC(=O)c2cccc(C=O)n2)cc1F
Show InChI InChI=1S/C13H7F2NO2S/c14-10-5-4-9(6-11(10)15)19-13(18)12-3-1-2-8(7-17)16-12/h1-7H
PDB

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n/an/a 6.90E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124730
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(4-nitro-ph...)
Show SMILES [O-][N+](=O)c1ccc(SC(=O)c2cccc(C=O)n2)cc1
Show InChI InChI=1S/C13H8N2O4S/c16-8-9-2-1-3-12(14-9)13(17)20-11-6-4-10(5-7-11)15(18)19/h1-8H
PDB

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n/an/a 7.50E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124729
PNG
(6-Formyl-pyridine-2-carbothioic acid S-m-tolyl est...)
Show SMILES Cc1cccc(SC(=O)c2cccc(C=O)n2)c1
Show InChI InChI=1S/C14H11NO2S/c1-10-4-2-6-12(8-10)18-14(17)13-7-3-5-11(9-16)15-13/h2-9H,1H3
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n/an/a 7.60E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124733
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(3-methoxy-...)
Show SMILES COc1cccc(SC(=O)c2cccc(C=O)n2)c1
Show InChI InChI=1S/C14H11NO3S/c1-18-11-5-3-6-12(8-11)19-14(17)13-7-2-4-10(9-16)15-13/h2-9H,1H3
PDB

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n/an/a 7.60E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124726
PNG
(2-(2,6-Dichloro-benzylsulfanyl)-6-formyl-nicotinon...)
Show SMILES Clc1cccc(Cl)c1CSc1nc(C=O)ccc1C#N
Show InChI InChI=1S/C14H8Cl2N2OS/c15-12-2-1-3-13(16)11(12)8-20-14-9(6-17)4-5-10(7-19)18-14/h1-5,7H,8H2
PDB

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n/an/a 7.70E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124739
PNG
(6-Formyl-pyridine-2-carbothioic acid 2,6-dichloro-...)
Show SMILES Clc1cccc(Cl)c1SC(=O)c1cccc(C=O)n1
Show InChI InChI=1S/C13H7Cl2NO2S/c14-9-4-2-5-10(15)12(9)19-13(18)11-6-1-3-8(7-17)16-11/h1-7H
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n/an/a 7.90E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124743
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(3-chloro-p...)
Show SMILES Clc1cccc(SC(=O)c2cccc(C=O)n2)c1
Show InChI InChI=1S/C13H8ClNO2S/c14-9-3-1-5-11(7-9)18-13(17)12-6-2-4-10(8-16)15-12/h1-8H
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n/an/a 7.90E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124740
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(2-chloro-p...)
Show SMILES Clc1ccccc1SC(=O)c1cccc(C=O)n1
Show InChI InChI=1S/C13H8ClNO2S/c14-10-5-1-2-7-12(10)18-13(17)11-6-3-4-9(8-16)15-11/h1-8H
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n/an/a 8.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124728
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(4-methoxy-...)
Show SMILES COc1ccc(SC(=O)c2cccc(C=O)n2)cc1
Show InChI InChI=1S/C14H11NO3S/c1-18-11-5-7-12(8-6-11)19-14(17)13-4-2-3-10(9-16)15-13/h2-9H,1H3
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n/an/a 9.10E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124746
PNG
(6-Formyl-pyridine-2-carboxylic acid 3,4-dichloro-p...)
Show SMILES Clc1ccc(OC(=O)c2cccc(C=O)n2)cc1Cl
Show InChI InChI=1S/C13H7Cl2NO3/c14-10-5-4-9(6-11(10)15)19-13(18)12-3-1-2-8(7-17)16-12/h1-7H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124744
PNG
(6-Formyl-pyridine-2-carboxylic acid (3,4-dichloro-...)
Show SMILES Clc1ccc(NC(=O)c2cccc(C=O)n2)cc1Cl
Show InChI InChI=1S/C13H8Cl2N2O2/c14-10-5-4-8(6-11(10)15)17-13(19)12-3-1-2-9(7-18)16-12/h1-7H,(H,17,19)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124738
PNG
(6-Formyl-pyridine-2-carbothioic acid S-p-tolyl est...)
Show SMILES Cc1ccc(SC(=O)c2cccc(C=O)n2)cc1
Show InChI InChI=1S/C14H11NO2S/c1-10-5-7-12(8-6-10)18-14(17)13-4-2-3-11(9-16)15-13/h2-9H,1H3
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124735
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(4-acetylam...)
Show SMILES CC(=O)Nc1ccc(SC(=O)c2cccc(C=O)n2)cc1
Show InChI InChI=1S/C15H12N2O3S/c1-10(19)16-11-5-7-13(8-6-11)21-15(20)14-4-2-3-12(9-18)17-14/h2-9H,1H3,(H,16,19)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124732
PNG
(6-Formyl-pyridine-2-carbothioic acid S-o-tolyl est...)
Show SMILES Cc1ccccc1SC(=O)c1cccc(C=O)n1
Show InChI InChI=1S/C14H11NO2S/c1-10-5-2-3-8-13(10)18-14(17)12-7-4-6-11(9-16)15-12/h2-9H,1H3
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124724
PNG
(6-Formyl-pyridine-2-carbothioic acid S-(2-methoxy-...)
Show SMILES COc1ccccc1SC(=O)c1cccc(C=O)n1
Show InChI InChI=1S/C14H11NO3S/c1-18-12-7-2-3-8-13(12)19-14(17)11-6-4-5-10(9-16)15-11/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124726
PNG
(2-(2,6-Dichloro-benzylsulfanyl)-6-formyl-nicotinon...)
Show SMILES Clc1cccc(Cl)c1CSc1nc(C=O)ccc1C#N
Show InChI InChI=1S/C14H8Cl2N2OS/c15-12-2-1-3-13(16)11(12)8-20-14-9(6-17)4-5-10(7-19)18-14/h1-5,7H,8H2
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n/an/a 1.13E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity of compound against HT-29 (human colon caner ) cell line was determined by SRB assay


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair