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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 = 50079152   
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))
BDBM50079152
PNG
(3-(4-Methyl-piperazin-1-yl)-N-{7-[3-(4-methyl-pipe...)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3-c4ccc(NC(=O)CCN5CCN(C)CC5)cc4C(=O)c3c2)CC1
Show InChI InChI=1S/C29H38N6O3/c1-32-11-15-34(16-12-32)9-7-27(36)30-21-3-5-23-24-6-4-22(20-26(24)29(38)25(23)19-21)31-28(37)8-10-35-17-13-33(2)14-18-35/h3-6,19-20H,7-18H2,1-2H3,(H,30,36)(H,31,37)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.40E+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))
BDBM50079152
PNG
(3-(4-Methyl-piperazin-1-yl)-N-{7-[3-(4-methyl-pipe...)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3-c4ccc(NC(=O)CCN5CCN(C)CC5)cc4C(=O)c3c2)CC1
Show InChI InChI=1S/C29H38N6O3/c1-32-11-15-34(16-12-32)9-7-27(36)30-21-3-5-23-24-6-4-22(20-26(24)29(38)25(23)19-21)31-28(37)8-10-35-17-13-33(2)14-18-35/h3-6,19-20H,7-18H2,1-2H3,(H,30,36)(H,31,37)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 4.37E+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