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Compile Data Set for Download or QSAR

Found 187 hits of ic50 data for polymerid = 50004421   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of GLP


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50300029
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H34N6O2/c1-26-8-5-9-28(13-12-26)22-24-18-15-20(30-4)19(29-3)14-17(18)21(25-22)23-16-6-10-27(2)11-7-16/h14-16H,5-13H2,1-4H3,(H,23,24,25)
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n/an/a 4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268879
PNG
(CHEMBL4094717)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCCC1
Show InChI InChI=1S/C22H33N5O2/c1-26-11-9-15(10-12-26)23-21-17-13-19(28-3)20(29-4)14-18(17)24-22(25-21)27(2)16-7-5-6-8-16/h13-16H,5-12H2,1-4H3,(H,23,24,25)
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n/an/a 4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268886
PNG
(CHEMBL4072211)
Show SMILES CCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H31N5O2/c1-6-9-25(3)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-7-10-24(2)11-8-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268871
PNG
(CHEMBL4100004)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCCCC1
Show InChI InChI=1S/C23H35N5O2/c1-27-12-10-16(11-13-27)24-22-18-14-20(29-3)21(30-4)15-19(18)25-23(26-22)28(2)17-8-6-5-7-9-17/h14-17H,5-13H2,1-4H3,(H,24,25,26)
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n/an/a 6n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268910
PNG
(CHEMBL4066769)
Show SMILES COc1cc2nc(cc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C21H30N4O3/c1-24-6-4-15(5-7-24)22-18-14-21(25-8-10-28-11-9-25)23-17-13-20(27-3)19(26-2)12-16(17)18/h12-15H,4-11H2,1-3H3,(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512623
PNG
(CHEMBL4582775)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H41N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-5,7,9-19H2,1-3H3,(H,29,30,31)
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n/an/a 6n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501525
PNG
(CHEMBL4086403)
Show SMILES CCCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)
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n/an/a 7n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512644
PNG
(CHEMBL4467219)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H45N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-19H2,1-3H3,(H,29,30,31)
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n/an/a 9n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512620
PNG
(CHEMBL4461224)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 9n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300034
PNG
(6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C
Show InChI InChI=1S/C18H27N5O2/c1-22(2)18-20-14-11-16(25-5)15(24-4)10-13(14)17(21-18)19-12-6-8-23(3)9-7-12/h10-12H,6-9H2,1-5H3,(H,19,20,21)
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n/an/a 11n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512624
PNG
(CHEMBL4568910)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H39N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,7,9-17H2,1-5H3,(H,27,28,29)
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n/an/a 11n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501520
PNG
(CHEMBL4085546)
Show SMILES CCCN1CCC(CC1)Nc1nc(nc2cc(OC)c(OC)cc12)N1CCOCC1
Show InChI InChI=1S/C22H33N5O3/c1-4-7-26-8-5-16(6-9-26)23-21-17-14-19(28-2)20(29-3)15-18(17)24-22(25-21)27-10-12-30-13-11-27/h14-16H,4-13H2,1-3H3,(H,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268909
PNG
(CHEMBL4088064)
Show SMILES CCCCCCNc1cc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C23H36N4O2/c1-5-6-7-8-11-24-23-16-20(25-17-9-12-27(2)13-10-17)18-14-21(28-3)22(29-4)15-19(18)26-23/h14-17H,5-13H2,1-4H3,(H2,24,25,26)
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n/an/a 11n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 11n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512645
PNG
(CHEMBL4532743)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1=O)N1CCCN(C)CC1
Show InChI InChI=1S/C28H39N7O2/c1-32-11-6-14-35(18-17-32)28-30-24-19-21(7-4-12-34-13-5-8-26(34)36)25(37-3)20-23(24)27(31-28)29-22-9-15-33(2)16-10-22/h19-20,22H,5-6,8-18H2,1-3H3,(H,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512662
PNG
(CHEMBL4464846)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)CCO)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O2/c1-31-11-6-12-34(16-15-31)27-29-24-19-21(7-5-10-32(2)17-18-35)25(36-4)20-23(24)26(30-27)28-22-8-13-33(3)14-9-22/h19-20,22,35H,5-18H2,1-4H3,(H,28,29,30)
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n/an/a 12n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50300031
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1
Show InChI InChI=1S/C21H31N5O2/c1-25-11-7-15(8-12-25)22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-9-5-4-6-10-26/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501523
PNG
(CHEMBL4063569)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C20H29N5O2/c1-24-10-6-14(7-11-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-4-5-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
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n/an/a 12n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501518
PNG
(CHEMBL4093293)
Show SMILES COc1cc2nc(nc(NC3CCN(CC3)C3CC3)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C22H31N5O3/c1-28-19-13-17-18(14-20(19)29-2)24-22(27-9-11-30-12-10-27)25-21(17)23-15-5-7-26(8-6-15)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,23,24,25)
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n/an/a 12n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50300032
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
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n/an/a 13n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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n/an/a 13n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50353131
PNG
(CHEMBL1829304)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
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n/an/a<15n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of GLP assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50323813
PNG
(7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501519
PNG
(CHEMBL4072569)
Show SMILES COc1cc2nc(nc(NC3CCN(CC3)C(C)C)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C22H33N5O3/c1-15(2)26-7-5-16(6-8-26)23-21-17-13-19(28-3)20(29-4)14-18(17)24-22(25-21)27-9-11-30-12-10-27/h13-16H,5-12H2,1-4H3,(H,23,24,25)
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n/an/a 15n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512643
PNG
(CHEMBL4460703)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1=O)N1CCCN(C)CC1
Show InChI InChI=1S/C28H43N7O2/c1-32-11-6-14-35(18-17-32)28-30-24-19-21(7-4-12-34-13-5-8-26(34)36)25(37-3)20-23(24)27(31-28)29-22-9-15-33(2)16-10-22/h19-20,22H,4-18H2,1-3H3,(H,29,30,31)
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n/an/a 16n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501533
PNG
(CHEMBL4097286)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCCC1
Show InChI InChI=1S/C22H33N5O2/c1-26-12-8-16(9-13-26)23-21-17-14-19(28-2)20(29-3)15-18(17)24-22(25-21)27-10-6-4-5-7-11-27/h14-16H,4-13H2,1-3H3,(H,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268880
PNG
(CHEMBL4074209)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCC1
Show InChI InChI=1S/C21H31N5O2/c1-25-10-8-14(9-11-25)22-20-16-12-18(27-3)19(28-4)13-17(16)23-21(24-20)26(2)15-6-5-7-15/h12-15H,5-11H2,1-4H3,(H,22,23,24)
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n/an/a 17n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268885
PNG
(CHEMBL4084508)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C(C)C
Show InChI InChI=1S/C20H31N5O2/c1-13(2)25(4)20-22-16-12-18(27-6)17(26-5)11-15(16)19(23-20)21-14-7-9-24(3)10-8-14/h11-14H,7-10H2,1-6H3,(H,21,22,23)
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n/an/a 18n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268894
PNG
(CHEMBL4092975)
Show SMILES CCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H29N5O2/c1-6-24(3)19-21-15-12-17(26-5)16(25-4)11-14(15)18(22-19)20-13-7-9-23(2)10-8-13/h11-13H,6-10H2,1-5H3,(H,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501522
PNG
(CHEMBL4081938)
Show SMILES CCCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C23H37N5O2/c1-6-7-8-9-12-28(3)23-25-19-16-21(30-5)20(29-4)15-18(19)22(26-23)24-17-10-13-27(2)14-11-17/h15-17H,6-14H2,1-5H3,(H,24,25,26)
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n/an/a 18n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512668
PNG
(CHEMBL4452780)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCC1CCCCN1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H45N7O/c1-33-13-6-14-35(18-17-33)28-31-25-19-21(8-9-22-7-4-5-12-29-22)26(36-3)20-24(25)27(32-28)30-23-10-15-34(2)16-11-23/h19-20,22-23,29H,4-18H2,1-3H3,(H,30,31,32)
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n/an/a 19n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512635
PNG
(CHEMBL4435107)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN(C)C)C1CCCCC1
Show InChI InChI=1S/C28H41N5O/c1-20(2)33-16-13-23(14-17-33)29-28-24-19-26(34-5)22(12-9-15-32(3)4)18-25(24)30-27(31-28)21-10-7-6-8-11-21/h18-21,23H,6-8,10-11,13-17H2,1-5H3,(H,29,30,31)
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n/an/a 19n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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n/an/a 19n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of GLP (unknown origin)


J Med Chem 62: 2666-2689 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02008
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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n/an/a 19n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EHMT1 (unknown origin)


Bioorg Med Chem 25: 4579-4594 (2017)


Article DOI: 10.1016/j.bmc.2017.06.032
BindingDB Entry DOI: 10.7270/Q2CC135P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512660
PNG
(CHEMBL4560792)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN(C)C)C1CCCCC1
Show InChI InChI=1S/C28H45N5O/c1-20(2)33-16-13-23(14-17-33)29-28-24-19-26(34-5)22(12-9-15-32(3)4)18-25(24)30-27(31-28)21-10-7-6-8-11-21/h18-21,23H,6-17H2,1-5H3,(H,29,30,31)
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n/an/a 19n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of GLP by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide


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
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of GLP by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268908
PNG
(CHEMBL4063767)
Show SMILES CCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H33N5O2/c1-6-10-26(7-2)21-23-17-14-19(28-5)18(27-4)13-16(17)20(24-21)22-15-8-11-25(3)12-9-15/h13-15H,6-12H2,1-5H3,(H,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268867
PNG
(CHEMBL4069640)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CCO
Show InChI InChI=1S/C19H29N5O3/c1-23-7-5-13(6-8-23)20-18-14-11-16(26-3)17(27-4)12-15(14)21-19(22-18)24(2)9-10-25/h11-13,25H,5-10H2,1-4H3,(H,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268865
PNG
(CHEMBL4068291)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CC1CCCCC1
Show InChI InChI=1S/C24H37N5O2/c1-28-12-10-18(11-13-28)25-23-19-14-21(30-3)22(31-4)15-20(19)26-24(27-23)29(2)16-17-8-6-5-7-9-17/h14-15,17-18H,5-13,16H2,1-4H3,(H,25,26,27)
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n/an/a 20n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 23n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50323813
PNG
(7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a 23n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300033
PNG
(CHEMBL585180 | N2,N2-diethyl-6,7-dimethoxy-N4-(1-m...)
Show SMILES CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H31N5O2/c1-6-25(7-2)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-8-10-24(3)11-9-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268907
PNG
(CHEMBL4105129)
Show SMILES CCCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H35N5O2/c1-6-8-11-27(7-2)22-24-18-15-20(29-5)19(28-4)14-17(18)21(25-22)23-16-9-12-26(3)13-10-16/h14-16H,6-13H2,1-5H3,(H,23,24,25)
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n/an/a 23n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268898
PNG
(CHEMBL4093972)
Show SMILES COc1cc2nc(NCC(C)(C)C)nc(NC3CCN(C)CC3)c2cc1OC
Show InChI InChI=1S/C21H33N5O2/c1-21(2,3)13-22-20-24-16-12-18(28-6)17(27-5)11-15(16)19(25-20)23-14-7-9-26(4)10-8-14/h11-12,14H,7-10,13H2,1-6H3,(H2,22,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268869
PNG
(CHEMBL4075387)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CCN(C)C
Show InChI InChI=1S/C21H34N6O2/c1-25(2)11-12-27(4)21-23-17-14-19(29-6)18(28-5)13-16(17)20(24-21)22-15-7-9-26(3)10-8-15/h13-15H,7-12H2,1-6H3,(H,22,23,24)
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n/an/a 24n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50501521
PNG
(CHEMBL4063977)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(OC)c(OC)cc12)N1CCOCC1
Show InChI InChI=1S/C21H31N5O3/c1-4-25-7-5-15(6-8-25)22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-9-11-29-12-10-26/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a 26n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as...


J Med Chem 60: 1876-1891 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50512634
PNG
(CHEMBL4552592)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN1CCCC1=O)C1CCCCC1
Show InChI InChI=1S/C30H41N5O2/c1-21(2)34-17-13-24(14-18-34)31-30-25-20-27(37-3)23(11-7-15-35-16-8-12-28(35)36)19-26(25)32-29(33-30)22-9-5-4-6-10-22/h19-22,24H,4-6,8-10,12-18H2,1-3H3,(H,31,32,33)
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n/an/a 27n/an/an/an/an/an/a



Mercachem BV

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...


Bioorg Med Chem Lett 29: 2516-2524 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.012
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50268896
PNG
(CHEMBL4104425)
Show SMILES COc1cc2nc(NCCCCC(C)C)nc(NC3CCN(C)CC3)c2cc1OC
Show InChI InChI=1S/C23H37N5O2/c1-16(2)8-6-7-11-24-23-26-19-15-21(30-5)20(29-4)14-18(19)22(27-23)25-17-9-12-28(3)13-10-17/h14-17H,6-13H2,1-5H3,(H2,24,25,26,27)
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n/an/a 27n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...


Bioorg Med Chem 25: 4414-4423 (2017)


Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG
More data for this
Ligand-Target Pair
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