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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 = 'BDBM50079131'   
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))
BDBM50079131
PNG
(3-(2-Ethyl-piperidin-1-yl)-N-{7-[3-(2-ethyl-piperi...)
Show SMILES CCC1CCCCN1CCC(=O)Nc1ccc2-c3ccc(NC(=O)CCN4CCCCC4CC)cc3C(=O)c2c1
Show InChI InChI=1S/C33H44N4O3/c1-3-25-9-5-7-17-36(25)19-15-31(38)34-23-11-13-27-28-14-12-24(22-30(28)33(40)29(27)21-23)35-32(39)16-20-37-18-8-6-10-26(37)4-2/h11-14,21-22,25-26H,3-10,15-20H2,1-2H3,(H,34,38)(H,35,39)
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PC cid
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Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase


J Med Chem 42: 2679-84 (1999)


Article DOI: 10.1021/jm990084q
BindingDB Entry DOI: 10.7270/Q2DF6RX9
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50079131
PNG
(3-(2-Ethyl-piperidin-1-yl)-N-{7-[3-(2-ethyl-piperi...)
Show SMILES CCC1CCCCN1CCC(=O)Nc1ccc2-c3ccc(NC(=O)CCN4CCCCC4CC)cc3C(=O)c2c1
Show InChI InChI=1S/C33H44N4O3/c1-3-25-9-5-7-17-36(25)19-15-31(38)34-23-11-13-27-28-14-12-24(22-30(28)33(40)29(27)21-23)35-32(39)16-20-37-18-8-6-10-26(37)4-2/h11-14,21-22,25-26H,3-10,15-20H2,1-2H3,(H,34,38)(H,35,39)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.41E+10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of telomerase (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9594-4
BindingDB Entry DOI: 10.7270/Q2X63QV3
More data for this
Ligand-Target Pair