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PubMed code 23266120

Compile data set for download or QSAR
Found 14 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
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 2.40E+3n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425308
PNG
(CHEMBL2311579)
Show SMILES CN1C(=O)[C@@]23C[C@H]4[C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3 |r,THB:7:15:1.2:28.29,17:16:1.2:28.29|
Show InChI InChI=1S/C21H29N3O3S2Si/c1-19(2,3)30(5,6)27-12-21-18(26)24-16-14(13-9-7-8-10-15(13)22-16)11-20(24,28-29-21)17(25)23(21)4/h7-10,14,16,22H,11-12H2,1-6H3/t14-,16-,20+,21-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425305
PNG
(CHEMBL2315521)
Show SMILES CN1C(=O)C23CCCN2C(=O)C1(CO)SS3
Show InChI InChI=1S/C9H12N2O3S2/c1-10-6(13)8-3-2-4-11(8)7(14)9(10,5-12)16-15-8/h12H,2-5H2,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425304
PNG
(CHEMBL2315522)
Show SMILES CN1C(=O)C23CCCN2C(=O)C1(CO)SSS3
Show InChI InChI=1S/C9H12N2O3S3/c1-10-6(13)8-3-2-4-11(8)7(14)9(10,5-12)16-17-15-8/h12H,2-5H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50396029
PNG
(CHEMBL1222849)
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,TLB:38:37:31.33:27.26,36:35:31.33:27.26,THB:17:16:1.2:21.22,7:15:1.2:21.22|
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+/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425311
PNG
(CHEMBL2315526)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3)[C@]12C[C@]34SS[C@@](CO[Si](C)(C)C(C)(C)C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,TLB:50:49:45.47:34.33,52:51:45.47:34.33,THB:7:15:1.2:28.29,17:16:1.2:28.29|
Show InChI InChI=1S/C42H56N6O6S4Si2/c1-35(2,3)59(9,10)53-23-41-33(51)47-29-37(25-17-13-15-19-27(25)43-29,21-39(47,55-57-41)31(49)45(41)7)38-22-40-32(50)46(8)42(58-56-40,24-54-60(11,12)36(4,5)6)34(52)48(40)30(38)44-28-20-16-14-18-26(28)38/h13-20,29-30,43-44H,21-24H2,1-12H3/t29-,30-,37+,38+,39+,40+,41-,42-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
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 7.20E+3n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425306
PNG
(CHEMBL2315520)
Show SMILES CN1C(=O)C2(S)CCCN2C(=O)C1(S)CO
Show InChI InChI=1S/C9H14N2O3S2/c1-10-6(13)8(15)3-2-4-11(8)7(14)9(10,16)5-12/h12,15-16H,2-5H2,1H3
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n/an/a 1.31E+4n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425307
PNG
(CHEMBL2315523)
Show SMILES CN1C(=O)[C@]23C[C@@H]4[C@@H](Nc5ccccc45)N2C(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)SS3 |r,THB:7:15:1.2:28.29,17:16:1.2:28.29|
Show InChI InChI=1S/C21H29N3O3S2Si/c1-19(2,3)30(5,6)27-12-21-18(26)24-16-14(13-9-7-8-10-15(13)22-16)11-20(24,28-29-21)17(25)23(21)4/h7-10,14,16,22H,11-12H2,1-6H3/t14-,16-,20+,21-/m0/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425310
PNG
(CHEMBL2315525)
Show SMILES CN1C(=O)[C@@]2(S)C[C@]3([C@H](Nc4ccccc34)N2C(=O)[C@@]1(S)CO)[C@]12C[C@@]3(S)N([C@H]1Nc1ccccc21)C(=O)[C@@](S)(CO)N(C)C3=O |r|
Show InChI InChI=1S/C30H32N6O6S4/c1-33-21(39)27(43)11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,45)13-37)26-12-28(44)22(40)34(2)30(46,14-38)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38,43-46H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50396028
PNG
(CHEMBL1222848)
Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r|
Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50396028
PNG
(CHEMBL1222848)
Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r|
Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425309
PNG
(CHEMBL2315524)
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>1.00E+5n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50425312
PNG
(CHEMBL2315527)
Show SMILES CN1[C@@H](CO)C(=O)N2[C@@H](C[C@@]3([C@H]2Nc2ccccc32)[C@@]23C[C@@H]4N([C@@H]2Nc2ccccc32)C(=O)[C@H](CO)N(C)C4=O)C1=O |r|
Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay

Bioorg Med Chem Lett 23: 733-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.087
BindingDB Entry DOI: 10.7270/Q22V2HFN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%