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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50134002'   
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))
BDBM50134002
PNG
(CHEMBL141540 | N,N'-(9-(2-(piperidin-1-yl)ethylami...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NCCN3CCCCC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C34H47N7O2/c42-32(12-21-39-17-4-5-18-39)36-26-8-10-28-30(24-26)38-31-25-27(37-33(43)13-22-40-19-6-7-20-40)9-11-29(31)34(28)35-14-23-41-15-2-1-3-16-41/h8-11,24-25H,1-7,12-23H2,(H,35,38)(H,36,42)(H,37,43)
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Article
PubMed
n/an/a 50n/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))
BDBM50134002
PNG
(CHEMBL141540 | N,N'-(9-(2-(piperidin-1-yl)ethylami...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NCCN3CCCCC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C34H47N7O2/c42-32(12-21-39-17-4-5-18-39)36-26-8-10-28-30(24-26)38-31-25-27(37-33(43)13-22-40-19-6-7-20-40)9-11-29(31)34(28)35-14-23-41-15-2-1-3-16-41/h8-11,24-25H,1-7,12-23H2,(H,35,38)(H,36,42)(H,37,43)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 500n/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