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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'borg' and Initial = 'aj'   
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
Histone-lysine N-methyltransferase Su(var)3-9


(Drosophila melanogaster)
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster Histone-lysine N-methyltransferase Su(var)3-9


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens (Human))
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human Histone-lysine N-methyltransferase SUV39H1


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Mus musculus)
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of mouse Histone-lysine N-methyltransferase G9a


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate...


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate...


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50448441
PNG
(CHEMBL3124975)
Show SMILES O=C1[C@@H]2SS[C@H](N1Cc1ccccc1)C(=O)N2Cc1ccccc1 |r|
Show InChI InChI=1S/C18H16N2O2S2/c21-15-18-20(12-14-9-5-2-6-10-14)16(22)17(23-24-18)19(15)11-13-7-3-1-4-8-13/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate...


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50448441
PNG
(CHEMBL3124975)
Show SMILES O=C1[C@@H]2SS[C@H](N1Cc1ccccc1)C(=O)N2Cc1ccccc1 |r|
Show InChI InChI=1S/C18H16N2O2S2/c21-15-18-20(12-14-9-5-2-6-10-14)16(22)17(23-24-18)19(15)11-13-7-3-1-4-8-13/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate...


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50448441
PNG
(CHEMBL3124975)
Show SMILES O=C1[C@@H]2SS[C@H](N1Cc1ccccc1)C(=O)N2Cc1ccccc1 |r|
Show InChI InChI=1S/C18H16N2O2S2/c21-15-18-20(12-14-9-5-2-6-10-14)16(22)17(23-24-18)19(15)11-13-7-3-1-4-8-13/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
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n/an/a 5.11E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride ...


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50448442
PNG
(CHEMBL3124976)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)S3)[C@]12C[C@]34S[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r|
Show InChI InChI=1S/C30H28N6O6S2/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)43-27)26-12-28-22(40)34(2)30(14-38,44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate...


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50448442
PNG
(CHEMBL3124976)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)S3)[C@]12C[C@]34S[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r|
Show InChI InChI=1S/C30H28N6O6S2/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)43-27)26-12-28-22(40)34(2)30(14-38,44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate...


J Med Chem 56: 8616-25 (2013)


Article DOI: 10.1021/jm401063r
BindingDB Entry DOI: 10.7270/Q2NS0WDK
More data for this
Ligand-Target Pair