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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50396029   
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))
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 1.70E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using SAM/biotinylated H3 as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs b...


J Med Chem 58: 1596-629 (2015)


Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2
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 1.70E+3n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged EHMT2 (unknown origin) using biotinylated-H3 peptide as substrate preincubated for 1 hr followed by substrate addition and m...


Eur J Med Chem 166: 351-368 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.069
BindingDB Entry DOI: 10.7270/Q2PZ5D8X
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 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged G9a after 1 hr by radioactive filter-binding assay


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
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