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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50080849'   
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))
BDBM50080849
PNG
(3,6-Bis(3-pyrrolidinopropionamido)acridine | 3-PYR...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Ability to inhibit human telomerase in a modified cell-free TRAP assay using extracts from A2780 cell line


Bioorg Med Chem Lett 9: 2463-8 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QN7
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50080849
PNG
(3,6-Bis(3-pyrrolidinopropionamido)acridine | 3-PYR...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)
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Article
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n/an/a 5.20E+3n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50080849
PNG
(3,6-Bis(3-pyrrolidinopropionamido)acridine | 3-PYR...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Telomerase evaluated by TRAP Assay studies.


J Med Chem 42: 4538-46 (1999)


BindingDB Entry DOI: 10.7270/Q2J103VC
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50080849
PNG
(3,6-Bis(3-pyrrolidinopropionamido)acridine | 3-PYR...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)
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Article
n/an/a 5.25E+9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of telomerase in Homo sapiens (human) A549 cells after 24 hr by TRAP assay


Citation and Details

Article DOI: 10.1007/s00044-011-9594-4
BindingDB Entry DOI: 10.7270/Q2X63QV3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50080849
PNG
(3,6-Bis(3-pyrrolidinopropionamido)acridine | 3-PYR...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)
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Article
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n/an/an/an/a 5.20E+3n/an/an/an/a



University of London

Curated by ChEMBL


Assay Description
Inhibitory activity against human telomerase


J Med Chem 46: 4463-76 (2003)


Article DOI: 10.1021/jm0308693
BindingDB Entry DOI: 10.7270/Q2RR1XN3
More data for this
Ligand-Target Pair