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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 = 50080845   
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))
BDBM50080845
PNG
(3-(4-Hydroxy-piperidin-1-yl)-N-{6-[3-(4-hydroxy-pi...)
Show SMILES OC1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC(O)CC5)cc4nc3c2)CC1
Show InChI InChI=1S/C29H37N5O4/c35-24-5-11-33(12-6-24)15-9-28(37)30-22-3-1-20-17-21-2-4-23(19-27(21)32-26(20)18-22)31-29(38)10-16-34-13-7-25(36)8-14-34/h1-4,17-19,24-25,35-36H,5-16H2,(H,30,37)(H,31,38)
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PC cid
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Article
PubMed
n/an/a 8.00E+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))
BDBM50080845
PNG
(3-(4-Hydroxy-piperidin-1-yl)-N-{6-[3-(4-hydroxy-pi...)
Show SMILES OC1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC(O)CC5)cc4nc3c2)CC1
Show InChI InChI=1S/C29H37N5O4/c35-24-5-11-33(12-6-24)15-9-28(37)30-22-3-1-20-17-21-2-4-23(19-27(21)32-26(20)18-22)31-29(38)10-16-34-13-7-25(36)8-14-34/h1-4,17-19,24-25,35-36H,5-16H2,(H,30,37)(H,31,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/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