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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 = 50134009   
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))
BDBM50134009
PNG
(CHEMBL335132 | N,N'-(9-(3-(dimethylamino)propylami...)
Show SMILES CN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-24(34-30(40)12-20-38-16-3-4-17-38)22-28(26)36-29-23-25(9-11-27(29)32)35-31(41)13-21-39-18-5-6-19-39/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41)
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Article
PubMed
n/an/a 60n/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))
BDBM50134009
PNG
(CHEMBL335132 | N,N'-(9-(3-(dimethylamino)propylami...)
Show SMILES CN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-24(34-30(40)12-20-38-16-3-4-17-38)22-28(26)36-29-23-25(9-11-27(29)32)35-31(41)13-21-39-18-5-6-19-39/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41)
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 60n/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