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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50068321'   
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))
BDBM50068321
PNG
(2,7-Bis[3-(piperidino)propionamido]anthraquinone |...)
Show SMILES O=C(CCN1CCCCC1)Nc1ccc2C(=O)c3ccc(NC(=O)CCN4CCCCC4)cc3C(=O)c2c1
Show InChI InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)30(38)26-20-22(8-10-24(26)29(23)37)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity of telomerase was measured using the TRAP assay.


J Med Chem 41: 4873-84 (1998)


Article DOI: 10.1021/jm981067o
BindingDB Entry DOI: 10.7270/Q2WW7GSD
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50068321
PNG
(2,7-Bis[3-(piperidino)propionamido]anthraquinone |...)
Show SMILES O=C(CCN1CCCCC1)Nc1ccc2C(=O)c3ccc(NC(=O)CCN4CCCCC4)cc3C(=O)c2c1
Show InChI InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)30(38)26-20-22(8-10-24(26)29(23)37)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase


J Med Chem 42: 2679-84 (1999)


Article DOI: 10.1021/jm990084q
BindingDB Entry DOI: 10.7270/Q2DF6RX9
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50068321
PNG
(2,7-Bis[3-(piperidino)propionamido]anthraquinone |...)
Show SMILES O=C(CCN1CCCCC1)Nc1ccc2C(=O)c3ccc(NC(=O)CCN4CCCCC4)cc3C(=O)c2c1
Show InChI InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)30(38)26-20-22(8-10-24(26)29(23)37)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)
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Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Inhibition of G-quadruplex-induced human TERT in H1299 cells by TRAP assay


Bioorg Med Chem 16: 6976-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.072
BindingDB Entry DOI: 10.7270/Q27944HS
More data for this
Ligand-Target Pair