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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 = 50155652   
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))
BDBM50155652
PNG
(3-Diethylamino-N-[6-(3-diethylamino-propionylamino...)
Show SMILES CCN(CC)CCC(=O)Nc1ccc2c(O)c3ccc(NC(=O)CCN(CC)CC)cc3nc2c1
Show InChI InChI=1S/C27H37N5O3/c1-5-31(6-2)15-13-25(33)28-19-9-11-21-23(17-19)30-24-18-20(10-12-22(24)27(21)35)29-26(34)14-16-32(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,33)(H,29,34)(H,30,35)
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Article
PubMed
n/an/a 2.70E+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))
BDBM50155652
PNG
(3-Diethylamino-N-[6-(3-diethylamino-propionylamino...)
Show SMILES CCN(CC)CCC(=O)Nc1ccc2c(O)c3ccc(NC(=O)CCN(CC)CC)cc3nc2c1
Show InChI InChI=1S/C27H37N5O3/c1-5-31(6-2)15-13-25(33)28-19-9-11-21-23(17-19)30-24-18-20(10-12-22(24)27(21)35)29-26(34)14-16-32(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,33)(H,29,34)(H,30,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.70E+3n/an/an/an/a



University of London

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of telomerase activity


Bioorg Med Chem Lett 14: 5845-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.037
BindingDB Entry DOI: 10.7270/Q26D5SG9
More data for this
Ligand-Target Pair