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PubMed code 24900829

Compile data set for download or QSAR
Found 11 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 EHMT1


(Homo sapiens (Human))
BDBM50010380
PNG
(CHEMBL3263626)
Show SMILES NC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC1CCCCC1 |r|
Show InChI InChI=1S/C18H28N6O3/c19-11(6-10-4-2-1-3-5-10)7-12-14(25)15(26)18(27-12)24-9-23-13-16(20)21-8-22-17(13)24/h8-12,14-15,18,25-26H,1-7,19H2,(H2,20,21,22)/t11?,12-,14-,15-,18-/m1/s1
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50010380
PNG
(CHEMBL3263626)
Show SMILES NC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC1CCCCC1 |r|
Show InChI InChI=1S/C18H28N6O3/c19-11(6-10-4-2-1-3-5-10)7-12-14(25)15(26)18(27-12)24-9-23-13-16(20)21-8-22-17(13)24/h8-12,14-15,18,25-26H,1-7,19H2,(H2,20,21,22)/t11?,12-,14-,15-,18-/m1/s1
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50010378
PNG
(CHEMBL3263624)
Show SMILES CCCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H21N5O3/c1-2-3-4-5-8-10(20)11(21)14(22-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
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PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50010378
PNG
(CHEMBL3263624)
Show SMILES CCCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H21N5O3/c1-2-3-4-5-8-10(20)11(21)14(22-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
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PubMed
n/an/a 1.03E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50010381
PNG
(CHEMBL3263627)
Show SMILES COc1ccc(CC(N)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC |r|
Show InChI InChI=1S/C20H26N6O5/c1-29-12-4-3-10(6-13(12)30-2)5-11(21)7-14-16(27)17(28)20(31-14)26-9-25-15-18(22)23-8-24-19(15)26/h3-4,6,8-9,11,14,16-17,20,27-28H,5,7,21H2,1-2H3,(H2,22,23,24)/t11?,14-,16-,17-,20-/m1/s1
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PubMed
n/an/a 1.47E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50010381
PNG
(CHEMBL3263627)
Show SMILES COc1ccc(CC(N)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC |r|
Show InChI InChI=1S/C20H26N6O5/c1-29-12-4-3-10(6-13(12)30-2)5-11(21)7-14-16(27)17(28)20(31-14)26-9-25-15-18(22)23-8-24-19(15)26/h3-4,6,8-9,11,14,16-17,20,27-28H,5,7,21H2,1-2H3,(H2,22,23,24)/t11?,14-,16-,17-,20-/m1/s1
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PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50010380
PNG
(CHEMBL3263626)
Show SMILES NC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC1CCCCC1 |r|
Show InChI InChI=1S/C18H28N6O3/c19-11(6-10-4-2-1-3-5-10)7-12-14(25)15(26)18(27-12)24-9-23-13-16(20)21-8-22-17(13)24/h8-12,14-15,18,25-26H,1-7,19H2,(H2,20,21,22)/t11?,12-,14-,15-,18-/m1/s1
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n/an/a 1.79E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of DNMT1 (unknown origin)


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50010379
PNG
(CHEMBL3263625)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H21N5O3/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(26-18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,14-15,18,24-25H,4,7-8H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
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PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50010379
PNG
(CHEMBL3263625)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H21N5O3/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(26-18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,14-15,18,24-25H,4,7-8H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
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PubMed
n/an/a 2.35E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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PubMed
n/an/a 5.09E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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PubMed
n/an/a 5.13E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%