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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 = 50134024   
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))
BDBM50134024
PNG
(CHEMBL139500 | N,N'-(9-(3-aminophenylamino)acridin...)
Show SMILES Nc1cccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)c1
Show InChI InChI=1S/C33H39N7O2/c34-23-6-5-7-24(20-23)37-33-27-21-25(35-31(41)12-18-39-14-1-2-15-39)8-10-29(27)38-30-11-9-26(22-28(30)33)36-32(42)13-19-40-16-3-4-17-40/h5-11,20-22H,1-4,12-19,34H2,(H,35,41)(H,36,42)(H,37,38)
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Article
PubMed
n/an/a 1.09E+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))
BDBM50134024
PNG
(CHEMBL139500 | N,N'-(9-(3-aminophenylamino)acridin...)
Show SMILES Nc1cccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)c1
Show InChI InChI=1S/C33H39N7O2/c34-23-6-5-7-24(20-23)37-33-27-21-25(35-31(41)12-18-39-14-1-2-15-39)8-10-29(27)38-30-11-9-26(22-28(30)33)36-32(42)13-19-40-16-3-4-17-40/h5-11,20-22H,1-4,12-19,34H2,(H,35,41)(H,36,42)(H,37,38)
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 1.09E+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