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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'lacroix' and Initial = 'l'   
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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n/an/a 0.640n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated before telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
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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n/an/a 0.700n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated after telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50376748
PNG
(CHEMBL259739 | Phen-DC3)
Show SMILES C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
Show InChI InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2
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n/an/a 1.5n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated before telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50376748
PNG
(CHEMBL259739 | Phen-DC3)
Show SMILES C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
Show InChI InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2
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n/an/a 2.20n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated after telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411390
PNG
(CHEMBL397222)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)c(Cl)c4)n3C)CCc2c1
Show InChI InChI=1S/C26H27Cl2N5OS/c1-17-14-24(31-34-17)20-5-4-18-8-11-33(12-9-19(18)15-20)10-3-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,3,8-13H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411385
PNG
(CHEMBL243896)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C#N)n3C)CCc2c1
Show InChI InChI=1S/C27H28N6OS/c1-19-16-25(31-34-19)24-9-8-21-10-13-33(14-11-23(21)17-24)12-3-15-35-27-30-29-26(32(27)2)22-6-4-20(18-28)5-7-22/h4-9,16-17H,3,10-15H2,1-2H3
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411387
PNG
(CHEMBL244279)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)cc4)n3C)CCc2c1
Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)22-5-4-19-10-13-32(14-11-21(19)17-22)12-3-15-34-26-29-28-25(31(26)2)20-6-8-23(27)9-7-20/h4-9,16-17H,3,10-15H2,1-2H3
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411382
PNG
(CHEMBL395742)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(C)cc4)n3C)CCc2c1
Show InChI InChI=1S/C27H31N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h5-10,17-18H,4,11-16H2,1-3H3
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411392
PNG
(CHEMBL390649)
Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C28H31F3N6S/c1-19-17-25(36(3)34-19)23-6-5-20-11-14-37(15-12-22(20)18-23)13-4-16-38-27-33-32-26(35(27)2)21-7-9-24(10-8-21)28(29,30)31/h5-10,17-18H,4,11-16H2,1-3H3
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411376
PNG
(CHEMBL390429)
Show SMILES COc1ccccc1-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Show InChI InChI=1S/C27H31N5O2S/c1-19-17-24(30-34-19)22-10-9-20-11-14-32(15-12-21(20)18-22)13-6-16-35-27-29-28-26(31(27)2)23-7-4-5-8-25(23)33-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411394
PNG
(CHEMBL244276)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5[nH]ccc5c4)n3C)CCc2c1
Show InChI InChI=1S/C28H30N6OS/c1-19-18-30-27(35-19)24-5-4-20-9-13-34(14-10-21(20)16-24)12-3-15-36-28-32-31-26(33(28)2)23-6-7-25-22(17-23)8-11-29-25/h4-8,11,16-18,29H,3,9-10,12-15H2,1-2H3
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411367
PNG
(CHEMBL242600)
Show SMILES COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Show InChI InChI=1S/C27H31N5O2S/c1-19-17-25(30-34-19)23-6-5-20-11-14-32(15-12-22(20)18-23)13-4-16-35-27-29-28-26(31(27)2)21-7-9-24(33-3)10-8-21/h5-10,17-18H,4,11-16H2,1-3H3
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134030
PNG
(9-[4-(N,N-dimethylamino)phenylamino]-3,6-bis(3-pyr...)
Show SMILES CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
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n/an/a 45n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated before telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50376747
PNG
(CHEMBL409247)
Show SMILES C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
Show InChI InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2
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n/an/a 45n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in in HEK293T cells in presence of primer (T2AG3)4 by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411388
PNG
(CHEMBL397429)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cc5ccccc5[nH]4)n3C)CCc2c1
Show InChI InChI=1S/C28H30N6OS/c1-19-18-29-27(35-19)23-9-8-20-10-13-34(14-11-21(20)16-23)12-5-15-36-28-32-31-26(33(28)2)25-17-22-6-3-4-7-24(22)30-25/h3-4,6-9,16-18,30H,5,10-15H2,1-2H3
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50376747
PNG
(CHEMBL409247)
Show SMILES C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
Show InChI InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2
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n/an/a 52n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated before telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
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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n/an/a 58n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in in HEK293T cells in presence of primer (T2AG3)4 by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50376748
PNG
(CHEMBL259739 | Phen-DC3)
Show SMILES C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
Show InChI InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2
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n/an/a 63n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in in HEK293T cells in presence of primer (T2AG3)4 by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50376747
PNG
(CHEMBL409247)
Show SMILES C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
Show InChI InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2
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n/an/a 63n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated after telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411369
PNG
(CHEMBL243897)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C(F)(F)F)n3C)CCc2c1
Show InChI InChI=1S/C27H28F3N5OS/c1-18-16-24(33-36-18)22-5-4-19-10-13-35(14-11-21(19)17-22)12-3-15-37-26-32-31-25(34(26)2)20-6-8-23(9-7-20)27(28,29)30/h4-9,16-17H,3,10-15H2,1-2H3
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411383
PNG
(CHEMBL244087)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4Cl)n3C)CCc2c1
Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)21-9-8-19-10-13-32(14-11-20(19)17-21)12-5-15-34-26-29-28-25(31(26)2)22-6-3-4-7-23(22)27/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134030
PNG
(9-[4-(N,N-dimethylamino)phenylamino]-3,6-bis(3-pyr...)
Show SMILES CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
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n/an/a 65n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated after telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411396
PNG
(CHEMBL244278)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(Cl)c4)n3C)CCc2c1
Show InChI InChI=1S/C26H28ClN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411373
PNG
(CHEMBL243860)
Show SMILES CC1CCC(CC1)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C |(16.41,-46.4,;15.16,-45.51,;13.75,-46.15,;12.5,-45.26,;12.65,-43.73,;14.04,-43.08,;15.3,-43.97,;11.39,-42.84,;11.37,-41.28,;9.91,-40.84,;9.02,-42.09,;7.48,-42.1,;6.7,-40.78,;5.16,-40.79,;4.38,-39.47,;2.84,-39.48,;2.16,-38.09,;.64,-37.76,;-.57,-38.74,;-1.9,-37.98,;-3.23,-38.75,;-3.23,-40.29,;-1.9,-41.06,;-.56,-40.29,;.67,-41.25,;2.18,-40.89,;-4.57,-41.06,;-5.96,-40.44,;-6.99,-41.58,;-8.51,-41.41,;-6.24,-42.93,;-4.73,-42.61,;9.94,-43.34,;9.48,-44.81,)|
Show InChI InChI=1S/C27H37N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h9-10,17-19,22H,4-8,11-16H2,1-3H3
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411379
PNG
(CHEMBL244086)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1
Show InChI InChI=1S/C24H27N5OS2/c1-17-15-21(27-30-17)20-7-6-18-8-11-29(12-9-19(18)16-20)10-4-14-32-24-26-25-23(28(24)2)22-5-3-13-31-22/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411400
PNG
(CHEMBL244945)
Show SMILES COc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Show InChI InChI=1S/C26H30N6O2S/c1-18-15-23(30-34-18)21-6-5-19-9-12-32(13-10-20(19)16-21)11-4-14-35-26-29-28-25(31(26)2)22-7-8-24(33-3)27-17-22/h5-8,15-17H,4,9-14H2,1-3H3
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411381
PNG
(CHEMBL395743)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1
Show InChI InChI=1S/C25H30N6OS/c1-18-16-22(28-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-27-26-24(30(25)3)23-6-4-11-29(23)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411377
PNG
(CHEMBL244280)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(F)c4)n3C)CCc2c1
Show InChI InChI=1S/C26H28FN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411384
PNG
(CHEMBL243898)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccn4)n3C)CCc2c1
Show InChI InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-28-27-24(30(25)2)22-6-3-4-11-26-22/h3-4,6-8,11,16-17H,5,9-10,12-15H2,1-2H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411399
PNG
(CHEMBL245118)
Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C27H30F2N6S/c1-18-15-25(34(3)32-18)21-6-5-19-9-12-35(13-10-20(19)16-21)11-4-14-36-27-31-30-26(33(27)2)22-7-8-23(28)24(29)17-22/h5-8,15-17H,4,9-14H2,1-3H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411366
PNG
(CHEMBL243900)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C21H24F3N5OS/c1-14-12-18(27-30-14)17-5-4-15-6-9-29(10-7-16(15)13-17)8-3-11-31-20-26-25-19(28(20)2)21(22,23)24/h4-5,12-13H,3,6-11H2,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411397
PNG
(CHEMBL243708)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5nc(C)c(C)nc5c4)n3C)CCc2c1
Show InChI InChI=1S/C30H33N7OS/c1-19-16-27(35-38-19)24-7-6-22-10-13-37(14-11-23(22)17-24)12-5-15-39-30-34-33-29(36(30)4)25-8-9-26-28(18-25)32-21(3)20(2)31-26/h6-9,16-18H,5,10-15H2,1-4H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411375
PNG
(CHEMBL244275)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1
Show InChI InChI=1S/C24H27N5OS2/c1-17-16-25-23(30-17)20-7-6-18-8-11-29(12-9-19(18)15-20)10-4-14-32-24-27-26-22(28(24)2)21-5-3-13-31-21/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411374
PNG
(CHEMBL243474)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(C)(C)C)CCc2c1
Show InChI InChI=1S/C24H33N5OS/c1-17-15-21(27-30-17)20-8-7-18-9-12-29(13-10-19(18)16-20)11-6-14-31-23-26-25-22(28(23)5)24(2,3)4/h7-8,15-16H,6,9-14H2,1-5H3
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50222113
PNG
(7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411395
PNG
(CHEMBL244277)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1
Show InChI InChI=1S/C25H30N6OS/c1-18-17-26-24(32-18)21-8-7-19-9-13-31(14-10-20(19)16-21)12-5-15-33-25-28-27-23(30(25)3)22-6-4-11-29(22)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411371
PNG
(CHEMBL242602)
Show SMILES Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C26H28F2N6S/c1-17-14-24(33(3)31-17)20-5-4-18-8-10-34(11-9-19(18)15-20)12-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
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n/an/a 550n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated before telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
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n/an/a 710n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells in presence of primer (T2AG3)3 by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
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n/an/a 740n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells treated after telomerase elongation by telomeric repeat amplification protocol assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50376748
PNG
(CHEMBL259739 | Phen-DC3)
Show SMILES C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
Show InChI InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2
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n/an/a 790n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells in presence of primer (T2AG3)3 by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411380
PNG
(CHEMBL243899)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C)n3C)CCc2c1
Show InChI InChI=1S/C21H27N5OS/c1-15-13-20(24-27-15)19-6-5-17-7-10-26(11-8-18(17)14-19)9-4-12-28-21-23-22-16(2)25(21)3/h5-6,13-14H,4,7-12H2,1-3H3
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411378
PNG
(CHEMBL244084)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)32-20)28-33-34-30(35(28)3)38-17-5-14-36-15-12-22-9-10-24(18-23(22)13-16-36)29-31-19-21(2)37-29/h4,6-11,18-19H,5,12-17H2,1-3H3
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411368
PNG
(CHEMBL244085)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccncc4)n3C)CCc2c1
Show InChI InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)22-5-4-19-8-13-31(14-9-21(19)17-22)12-3-15-33-25-28-27-24(30(25)2)20-6-10-26-11-7-20/h4-7,10-11,16-17H,3,8-9,12-15H2,1-2H3
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411401
PNG
(CHEMBL243859)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C4CCCC4)n3C)CCc2c1
Show InChI InChI=1S/C25H33N5OS/c1-18-16-23(28-31-18)22-9-8-19-10-13-30(14-11-21(19)17-22)12-5-15-32-25-27-26-24(29(25)2)20-6-3-4-7-20/h8-9,16-17,20H,3-7,10-15H2,1-2H3
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134030
PNG
(9-[4-(N,N-dimethylamino)phenylamino]-3,6-bis(3-pyr...)
Show SMILES CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
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n/an/a 830n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells in presence of primer (T2AG3)3 by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
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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n/an/a 900n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells in presence of primer (T2AG3)3 by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
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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n/an/a 1.15E+3n/an/an/an/an/an/a



Institut National de la Sant£ et de la Recherche M£dicale

Curated by ChEMBL


Assay Description
Inhibition of human telomerase expressed in HEK293T cells in presence of primer TS by primer extension assay


Proc Natl Acad Sci USA 104: 17347-52 (2007)


Article DOI: 10.1073/pnas.0707365104
BindingDB Entry DOI: 10.7270/Q26974FQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411391
PNG
(CHEMBL242603)
Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2ccc(cc2CC1)-c1cc(C)nn1C |w:1.0|
Show InChI InChI=1S/C32H37N7S/c1-21-9-12-27-28(7-6-8-29(27)33-21)31-34-35-32(37(31)4)40-18-15-23(3)39-16-13-24-10-11-26(20-25(24)14-17-39)30-19-22(2)36-38(30)5/h6-12,19-20,23H,13-18H2,1-5H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411365
PNG
(CHEMBL243901)
Show SMILES CC(C)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Show InChI InChI=1S/C23H31N5OS/c1-16(2)22-24-25-23(27(22)4)30-13-5-10-28-11-8-18-6-7-20(15-19(18)9-12-28)21-14-17(3)29-26-21/h6-7,14-16H,5,8-13H2,1-4H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
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