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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Monomerid = 50080843   
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))
BDBM50080843
PNG
(3,6-Bis[(3-morpholinopropionamido)] acridine | 3-M...)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCOCC4)cc3nc2c1
Show InChI InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)
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Article
PubMed
n/an/a>5.00E+4n/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))
BDBM50080843
PNG
(3,6-Bis[(3-morpholinopropionamido)] acridine | 3-M...)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCOCC4)cc3nc2c1
Show InChI InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



The 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)


Article DOI: 10.1016/s0960-894x(99)00394-7
BindingDB Entry DOI: 10.7270/Q2H41QN7
More data for this
Ligand-Target Pair