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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50068304'   
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))
BDBM50068304
PNG
(CHEMBL343445 | N-[9,10-Dioxo-6-(3-pyrrolidin-1-yl-...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2C(=O)c3cc(NC(=O)CCN4CCCC4)ccc3C(=O)c2c1
Show InChI InChI=1S/C28H32N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)27(35)22-8-6-20(18-24(22)28(21)36)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18H,1-4,9-16H2,(H,29,33)(H,30,34)
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity of telomerase was measured using the TRAP assay.


J Med Chem 41: 4873-84 (1998)


Article DOI: 10.1021/jm981067o
BindingDB Entry DOI: 10.7270/Q2WW7GSD
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50068304
PNG
(CHEMBL343445 | N-[9,10-Dioxo-6-(3-pyrrolidin-1-yl-...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2C(=O)c3cc(NC(=O)CCN4CCCC4)ccc3C(=O)c2c1
Show InChI InChI=1S/C28H32N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)27(35)22-8-6-20(18-24(22)28(21)36)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18H,1-4,9-16H2,(H,29,33)(H,30,34)
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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ degli Studi"Magna Gr£cia"

Curated by ChEMBL


Assay Description
Inhibition of telomerase (unknown origin) by TRAP assay


Eur J Med Chem 68: 139-49 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.022
BindingDB Entry DOI: 10.7270/Q24J0GJB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50068304
PNG
(CHEMBL343445 | N-[9,10-Dioxo-6-(3-pyrrolidin-1-yl-...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2C(=O)c3cc(NC(=O)CCN4CCCC4)ccc3C(=O)c2c1
Show InChI InChI=1S/C28H32N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)27(35)22-8-6-20(18-24(22)28(21)36)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18H,1-4,9-16H2,(H,29,33)(H,30,34)
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Article
n/an/a 1.78E+9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of telomerase in Homo sapiens (human) A549 cells after 24 hr by TRAP assay


Citation and Details

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