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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'al temimi' and Initial = 'ahk'   
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))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 400n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50455375
PNG
(CHEMBL4208308)
Show SMILES O=[#6]-1-[#7]([Se;v2]c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C14H9NO2Se/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h1-9H
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n/an/a 450n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50455377
PNG
(E927a | NSC-674447)
Show SMILES NC(=O)\N=N\C(N)=O
Show InChI InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+
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n/an/a 500n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50028969
PNG
(CHEMBL3122204)
Show SMILES [Se]([Se]c1ccccc1)c1ccccc1
Show InChI InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
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n/an/a 550n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
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n/an/a 550n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
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Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM60840
PNG
(2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...)
Show SMILES S(Sc1ccccn1)c1ccccn1
Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
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n/an/a 650n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 730n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 790n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50028969
PNG
(CHEMBL3122204)
Show SMILES [Se]([Se]c1ccccc1)c1ccccc1
Show InChI InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
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n/an/a 860n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50455375
PNG
(CHEMBL4208308)
Show SMILES O=[#6]-1-[#7]([Se;v2]c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C14H9NO2Se/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h1-9H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 1.10E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50455377
PNG
(E927a | NSC-674447)
Show SMILES NC(=O)\N=N\C(N)=O
Show InChI InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM24776
PNG
(1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...)
Show SMILES O=C1C=CC(=O)c2ccccc12 |c:2|
Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM60840
PNG
(2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...)
Show SMILES S(Sc1ccccn1)c1ccccn1
Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
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Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50028972
PNG
(Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50028972
PNG
(Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM24776
PNG
(1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...)
Show SMILES O=C1C=CC(=O)c2ccccc12 |c:2|
Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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n/an/a 1.40E+4n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50455376
PNG
(CYSTAMINE DIHYDROCHLORIDE)
Show SMILES Cl.Cl.NCCSSCCN
Show InChI InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50324901
PNG
(2,2-dihydroxy-1H-indene-1,3(2H)-dione | CHEMBL1221...)
Show SMILES OC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
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n/an/a 5.40E+4n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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n/an/a 8.10E+4n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM225231
PNG
(Disulfide, Glutathione | GSSG | OXIGLUTATIONE | Ox...)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
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Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50094892
PNG
(9,10-anthraquinone | 9,10-quinone | Az-Q | CHEMBL5...)
Show SMILES O=C1c2ccccc2C(=O)c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
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Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50130701
PNG
(CHEMBL114503 | lambda~4~-selenium oxide; disodium ...)
Show SMILES [O-][Se]([O-])(=O)=O
Show InChI InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50455376
PNG
(CYSTAMINE DIHYDROCHLORIDE)
Show SMILES Cl.Cl.NCCSSCCN
Show InChI InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
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Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50130701
PNG
(CHEMBL114503 | lambda~4~-selenium oxide; disodium ...)
Show SMILES [O-][Se]([O-])(=O)=O
Show InChI InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50094892
PNG
(9,10-anthraquinone | 9,10-quinone | Az-Q | CHEMBL5...)
Show SMILES O=C1c2ccccc2C(=O)c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM225231
PNG
(Disulfide, Glutathione | GSSG | OXIGLUTATIONE | Ox...)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
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Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM7968
PNG
(2-aminoethane-1-thiol | Cysteamine)
Show InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM7968
PNG
(2-aminoethane-1-thiol | Cysteamine)
Show InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50324901
PNG
(2,2-dihydroxy-1H-indene-1,3(2H)-dione | CHEMBL1221...)
Show SMILES OC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
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Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.043
BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair