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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 = 50079137   
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))
BDBM50079137
PNG
(1N-{7-[2-(4-methyl-1,4-oxazinan-4-ium-4-yl)ethylca...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc3-c4ccc(NC(=O)CC[N+]5(C)CCOCC5)cc4C(=O)c3c2)CCOCC1
Show InChI InChI=1S/C29H36N4O5/c1-32(11-15-37-16-12-32)9-7-27(34)30-21-3-5-23-24-6-4-22(20-26(24)29(36)25(23)19-21)31-28(35)8-10-33(2)13-17-38-18-14-33/h3-6,19-20H,7-18H2,1-2H3/p+2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.73E+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))
BDBM50079137
PNG
(1N-{7-[2-(4-methyl-1,4-oxazinan-4-ium-4-yl)ethylca...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc3-c4ccc(NC(=O)CC[N+]5(C)CCOCC5)cc4C(=O)c3c2)CCOCC1
Show InChI InChI=1S/C29H36N4O5/c1-32(11-15-37-16-12-32)9-7-27(34)30-21-3-5-23-24-6-4-22(20-26(24)29(36)25(23)19-21)31-28(35)8-10-33(2)13-17-38-18-14-33/h3-6,19-20H,7-18H2,1-2H3/p+2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.75E+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