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6 similar compounds to monomer 50315537

Compile data set for download or QSAR
Wt: 664.8
BDBM50396026
Wt: 696.8
BDBM50396029
Purchase
Wt: 463.6
BDBM50425307
Wt: 463.6
BDBM50425308
Wt: 700.8
BDBM50425310
Wt: 925.3
BDBM50425311

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50396026,50396029,50425307,50425308,50425310,50425311   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein G9a (G9a)


(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
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 SUV39H1


(Homo sapiens (Human))
BDBM50396026
PNG
(CHEMBL2172426)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(C)SS3)[C@]12C[C@]34SS[C@](C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21
Show InChI InChI=1S/C30H28N6O4S4/c1-25-21(37)35-19-27(15-9-5-7-11-17(15)31-19,13-29(35,43-41-25)23(39)33(25)3)28-14-30-24(40)34(4)26(2,42-44-30)22(38)36(30)20(28)32-18-12-8-6-10-16(18)28/h5-12,19-20,31-32H,13-14H2,1-4H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SUV39H1


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
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50396026
PNG
(CHEMBL2172426)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(C)SS3)[C@]12C[C@]34SS[C@](C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21
Show InChI InChI=1S/C30H28N6O4S4/c1-25-21(37)35-19-27(15-9-5-7-11-17(15)31-19,13-29(35,43-41-25)23(39)33(25)3)28-14-30-24(40)34(4)26(2,42-44-30)22(38)36(30)20(28)32-18-12-8-6-10-16(18)28/h5-12,19-20,31-32H,13-14H2,1-4H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of G9a


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
Protein G9a (G9a)


(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
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
Protein G9a (G9a)


(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
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
Protein G9a (G9a)


(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
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
Protein G9a (G9a)


(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
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
Protein G9a (G9a)


(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
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
Protein G9a (G9a)


(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
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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PubMed
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