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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 = 50079129   
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))
BDBM50079129
PNG
(3-(2-Methyl-piperidin-1-yl)-N-{7-[3-(2-methyl-pipe...)
Show SMILES CC1CCCCN1CCC(=O)Nc1ccc2-c3ccc(NC(=O)CCN4CCCCC4C)cc3C(=O)c2c1
Show InChI InChI=1S/C31H40N4O3/c1-21-7-3-5-15-34(21)17-13-29(36)32-23-9-11-25-26-12-10-24(20-28(26)31(38)27(25)19-23)33-30(37)14-18-35-16-6-4-8-22(35)2/h9-12,19-22H,3-8,13-18H2,1-2H3,(H,32,36)(H,33,37)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



The 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))
BDBM50079129
PNG
(3-(2-Methyl-piperidin-1-yl)-N-{7-[3-(2-methyl-pipe...)
Show SMILES CC1CCCCN1CCC(=O)Nc1ccc2-c3ccc(NC(=O)CCN4CCCCC4C)cc3C(=O)c2c1
Show InChI InChI=1S/C31H40N4O3/c1-21-7-3-5-15-34(21)17-13-29(36)32-23-9-11-25-26-12-10-24(20-28(26)31(38)27(25)19-23)33-30(37)14-18-35-16-6-4-8-22(35)2/h9-12,19-22H,3-8,13-18H2,1-2H3,(H,32,36)(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.20E+10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of telomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair