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PubMed code 21280624

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50339190
PNG
(CHEMBL443683 | telomestatin)
Show SMILES Cc1oc2nc1c1nc(co1)c1nc(co1)c1nc(co1)c1nc(co1)c1nc(co1)c1SCc(n1)c1[nH]c2c(C)o1
Show InChI InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37-21)19-27-11(3-35-19)20-29-13(5-36-20)22-31-15(7-38-22)26-32-16(8-42-26)23-33-18(10(2)40-23)25(34-17)41-9/h3-7,33H,8H2,1-2H3/b20-11+,21-14+,26-15+
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50339188
PNG
(CHEMBL1689442 | N,N'-Bis[2-(1-piperidino)-ethyl]-1...)
Show SMILES CN(C)CCCN1CCN(CC1)c1cc2c3c(ccc4c5ccc6c7c(ccc(c1c34)c57)c(=O)n(CCN1CCCCC1)c6=O)c(=O)n(CCN1CCCCC1)c2=O
Show InChI InChI=1S/C47H55N7O4/c1-48(2)16-9-21-51-22-26-52(27-23-51)38-30-37-41-36(46(57)54(47(37)58)29-25-50-19-7-4-8-20-50)14-11-32-31-10-13-34-40-35(15-12-33(39(31)40)42(38)43(32)41)45(56)53(44(34)55)28-24-49-17-5-3-6-18-49/h10-15,30H,3-9,16-29H2,1-2H3
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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50339187
PNG
(CHEMBL1689438 | N,N'-Bis(5-(1-piperidino)-3-oxapen...)
Show SMILES O=c1n(CCOCCN2CCCCC2)c(=O)c2ccc3c4c(cc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(CCOCCN1CCCCC1)c5=O)N1CCCCC1
Show InChI InChI=1S/C47H53N5O6/c53-44-34-13-10-31-32-11-14-36-41-37(47(56)52(46(36)55)25-29-58-27-23-49-18-6-2-7-19-49)30-38(50-20-8-3-9-21-50)42(43(32)41)33-12-15-35(40(34)39(31)33)45(54)51(44)24-28-57-26-22-48-16-4-1-5-17-48/h10-15,30H,1-9,16-29H2
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50339189
PNG
(CHEMBL1689441 | N,N'-Bis[2-(1-piperidino)-ethyl]-1...)
Show SMILES CN1CCN(CC1)c1cc2c3c(ccc4c5c(cc6c7c(ccc(c1c34)c57)c(=O)n(CCN1CCCCC1)c6=O)N1CCN(C)CC1)c(=O)n(CCN1CCCCC1)c2=O
Show InChI InChI=1S/C48H56N8O4/c1-49-17-23-53(24-18-49)37-29-35-39-33(45(57)55(47(35)59)27-21-51-13-5-3-6-14-51)12-10-32-42-38(54-25-19-50(2)20-26-54)30-36-40-34(11-9-31(44(40)42)41(37)43(32)39)46(58)56(48(36)60)28-22-52-15-7-4-8-16-52/h9-12,29-30H,3-8,13-28H2,1-2H3
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%