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PubMed code 20614940

Compile data set for download or QSAR
Found 76 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))
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
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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 27n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 34n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 50n/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
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 58n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein G9a (G9a)


(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 6.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323808
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H45N7O2/c1-32-10-6-14-35(18-17-32)28-30-24-21-26(37-19-7-13-34-11-4-5-12-34)25(36-3)20-23(24)27(31-28)29-22-8-15-33(2)16-9-22/h20-22H,4-19H2,1-3H3,(H,29,30,31)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 9.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323808
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H45N7O2/c1-32-10-6-14-35(18-17-32)28-30-24-21-26(37-19-7-13-34-11-4-5-12-34)25(36-3)20-23(24)27(31-28)29-22-8-15-33(2)16-9-22/h20-22H,4-19H2,1-3H3,(H,29,30,31)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323809
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C29H47N7O2/c1-33-11-7-15-36(19-18-33)29-31-25-22-27(38-20-8-14-35-12-5-4-6-13-35)26(37-3)21-24(25)28(32-29)30-23-9-16-34(2)17-10-23/h21-23H,4-20H2,1-3H3,(H,30,31,32)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323809
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C29H47N7O2/c1-33-11-7-15-36(19-18-33)29-31-25-22-27(38-20-8-14-35-12-5-4-6-13-35)26(37-3)21-24(25)28(32-29)30-23-9-16-34(2)17-10-23/h21-23H,4-20H2,1-3H3,(H,30,31,32)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(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>4.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity SET8/preSet7 by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(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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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity SET7/9 by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(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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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity SET8/preSet7 by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(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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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity SET7/9 by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(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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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity PRMT3 by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(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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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity PRMT3 by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323805
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-(met...)
Show SMILES CNCCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C25H41N7O2/c1-26-9-5-16-34-23-18-21-20(17-22(23)33-4)24(27-19-7-12-31(3)13-8-19)29-25(28-21)32-11-6-10-30(2)14-15-32/h17-19,26H,5-16H2,1-4H3,(H,27,28,29)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 4.30E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323807
PNG
(6-Methoxy-7-(3-(methyl(propyl)amino)propoxy)-2-(4-...)
Show SMILES CCCN(C)CCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H47N7O2/c1-6-11-32(2)13-8-19-37-26-21-24-23(20-25(26)36-5)27(29-22-9-15-34(4)16-10-22)31-28(30-24)35-14-7-12-33(3)17-18-35/h20-22H,6-19H2,1-5H3,(H,29,30,31)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323803
PNG
(7-(5-(Dimethylamino)pentyloxy)-6-methoxy-2-(4-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C28H47N7O2/c1-32(2)12-7-6-8-19-37-26-21-24-23(20-25(26)36-5)27(29-22-10-15-34(4)16-11-22)31-28(30-24)35-14-9-13-33(3)17-18-35/h20-22H,6-19H2,1-5H3,(H,29,30,31)
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323807
PNG
(6-Methoxy-7-(3-(methyl(propyl)amino)propoxy)-2-(4-...)
Show SMILES CCCN(C)CCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H47N7O2/c1-6-11-32(2)13-8-19-37-26-21-24-23(20-25(26)36-5)27(29-22-9-15-34(4)16-10-22)31-28(30-24)35-14-7-12-33(3)17-18-35/h20-22H,6-19H2,1-5H3,(H,29,30,31)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323806
PNG
(7-(3-(Diethylamino)propoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES CCN(CC)CCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H47N7O2/c1-6-34(7-2)13-9-19-37-26-21-24-23(20-25(26)36-5)27(29-22-10-15-33(4)16-11-22)31-28(30-24)35-14-8-12-32(3)17-18-35/h20-22H,6-19H2,1-5H3,(H,29,30,31)
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 5.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323814
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C29H47N7O3/c1-33-9-6-12-36(16-15-33)29-31-25-22-27(39-20-19-38-18-17-35-10-4-5-11-35)26(37-3)21-24(25)28(32-29)30-23-7-13-34(2)14-8-23/h21-23H,4-20H2,1-3H3,(H,30,31,32)
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323806
PNG
(7-(3-(Diethylamino)propoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES CCN(CC)CCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H47N7O2/c1-6-34(7-2)13-9-19-37-26-21-24-23(20-25(26)36-5)27(29-22-10-15-33(4)16-11-22)31-28(30-24)35-14-8-12-32(3)17-18-35/h20-22H,6-19H2,1-5H3,(H,29,30,31)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323803
PNG
(7-(5-(Dimethylamino)pentyloxy)-6-methoxy-2-(4-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C28H47N7O2/c1-32(2)12-7-6-8-19-37-26-21-24-23(20-25(26)36-5)27(29-22-10-15-34(4)16-11-22)31-28(30-24)35-14-9-13-33(3)17-18-35/h20-22H,6-19H2,1-5H3,(H,29,30,31)
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n/an/a 9.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323802
PNG
(7-(4-(Dimethylamino)butoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O2/c1-31(2)11-6-7-18-36-25-20-23-22(19-24(25)35-5)26(28-21-9-14-33(4)15-10-21)30-27(29-23)34-13-8-12-32(3)16-17-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323801
PNG
(7-(2-(Dimethylamino)ethoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C25H41N7O2/c1-29(2)15-16-34-23-18-21-20(17-22(23)33-5)24(26-19-7-11-31(4)12-8-19)28-25(27-21)32-10-6-9-30(3)13-14-32/h17-19H,6-16H2,1-5H3,(H,26,27,28)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323812
PNG
(7-(5-Aminopentyloxy)-6-methoxy-2-(4-methyl-1,4-dia...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCN)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-31-11-7-12-33(16-15-31)26-29-22-19-24(35-17-6-4-5-10-27)23(34-3)18-21(22)25(30-26)28-20-8-13-32(2)14-9-20/h18-20H,4-17,27H2,1-3H3,(H,28,29,30)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323814
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C29H47N7O3/c1-33-9-6-12-36(16-15-33)29-31-25-22-27(39-20-19-38-18-17-35-10-4-5-11-35)26(37-3)21-24(25)28(32-29)30-23-7-13-34(2)14-8-23/h21-23H,4-20H2,1-3H3,(H,30,31,32)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323801
PNG
(7-(2-(Dimethylamino)ethoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C25H41N7O2/c1-29(2)15-16-34-23-18-21-20(17-22(23)33-5)24(26-19-7-11-31(4)12-8-19)28-25(27-21)32-10-6-9-30(3)13-14-32/h17-19H,6-16H2,1-5H3,(H,26,27,28)
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323805
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-(met...)
Show SMILES CNCCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C25H41N7O2/c1-26-9-5-16-34-23-18-21-20(17-22(23)33-4)24(27-19-7-12-31(3)13-8-19)29-25(28-21)32-11-6-10-30(2)14-15-32/h17-19,26H,5-16H2,1-4H3,(H,27,28,29)
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323802
PNG
(7-(4-(Dimethylamino)butoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O2/c1-31(2)11-6-7-18-36-25-20-23-22(19-24(25)35-5)26(28-21-9-14-33(4)15-10-21)30-27(29-23)34-13-8-12-32(3)16-17-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a 1.40E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300030
PNG
(6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323815
PNG
(CHEMBL1214068 | N1-(2-(6-Methoxy-2-(4-methyl-1,4-d...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCN(C)CCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C28H48N8O2/c1-32(2)14-15-35(5)18-19-38-26-21-24-23(20-25(26)37-6)27(29-22-8-12-34(4)13-9-22)31-28(30-24)36-11-7-10-33(3)16-17-36/h20-22H,7-19H2,1-6H3,(H,29,30,31)
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n/an/a 1.73E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 1.80E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300030
PNG
(6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 2.30E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323812
PNG
(7-(5-Aminopentyloxy)-6-methoxy-2-(4-methyl-1,4-dia...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCN)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-31-11-7-12-33(16-15-31)26-29-22-19-24(35-17-6-4-5-10-27)23(34-3)18-21(22)25(30-26)28-20-8-13-32(2)14-9-20/h18-20H,4-17,27H2,1-3H3,(H,28,29,30)
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n/an/a 2.35E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 2.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 3.30E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323815
PNG
(CHEMBL1214068 | N1-(2-(6-Methoxy-2-(4-methyl-1,4-d...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCN(C)CCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C28H48N8O2/c1-32(2)14-15-35(5)18-19-38-26-21-24-23(20-25(26)37-6)27(29-22-8-12-34(4)13-9-22)31-28(30-24)36-11-7-10-33(3)16-17-36/h20-22H,7-19H2,1-6H3,(H,29,30,31)
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n/an/a 3.45E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 5.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 5.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323810
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCOCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H45N7O3/c1-32-8-4-10-35(14-13-32)28-30-24-21-26(38-17-5-9-34-15-18-37-19-16-34)25(36-3)20-23(24)27(31-28)29-22-6-11-33(2)12-7-22/h20-22H,4-19H2,1-3H3,(H,29,30,31)
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n/an/a 7.80E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 8.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323810
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCOCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H45N7O3/c1-32-8-4-10-35(14-13-32)28-30-24-21-26(38-17-5-9-34-15-18-37-19-16-34)25(36-3)20-23(24)27(31-28)29-22-6-11-33(2)12-7-22/h20-22H,4-19H2,1-3H3,(H,29,30,31)
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n/an/a 8.80E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 9.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 9.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323800
PNG
(6,7-Dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)C3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-8-27(11-10-25)21-23-17-13-19(29-4)18(28-3)12-16(17)20(24-21)22-15-6-9-26(2)14-15/h12-13,15H,5-11,14H2,1-4H3,(H,22,23,24)
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n/an/a 9.10E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 1.10E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323816
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCC1CCCNC1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H43N7O2/c1-32-10-5-11-34(15-14-32)27-30-23-17-25(36-19-20-6-4-9-28-18-20)24(35-3)16-22(23)26(31-27)29-21-7-12-33(2)13-8-21/h16-17,20-21,28H,4-15,18-19H2,1-3H3,(H,29,30,31)
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n/an/a 1.50E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 1.60E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323800
PNG
(6,7-Dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)C3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-8-27(11-10-25)21-23-17-13-19(29-4)18(28-3)12-16(17)20(24-21)22-15-6-9-26(2)14-15/h12-13,15H,5-11,14H2,1-4H3,(H,22,23,24)
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n/an/a 1.90E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323804
PNG
(7-(6-(Dimethylamino)ethoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C29H49N7O2/c1-33(2)13-8-6-7-9-20-38-27-22-25-24(21-26(27)37-5)28(30-23-11-16-35(4)17-12-23)32-29(31-25)36-15-10-14-34(3)18-19-36/h21-23H,6-20H2,1-5H3,(H,30,31,32)
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n/an/a 3.20E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323811
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(4-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCC(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H44N6O2/c1-20(2)8-6-17-35-25-19-23-22(18-24(25)34-5)26(28-21-9-13-32(4)14-10-21)30-27(29-23)33-12-7-11-31(3)15-16-33/h18-21H,6-17H2,1-5H3,(H,28,29,30)
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n/an/a 3.40E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323816
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCC1CCCNC1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H43N7O2/c1-32-10-5-11-34(15-14-32)27-30-23-17-25(36-19-20-6-4-9-28-18-20)24(35-3)16-22(23)26(31-27)29-21-7-12-33(2)13-8-21/h16-17,20-21,28H,4-15,18-19H2,1-3H3,(H,29,30,31)
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n/an/a 5.10E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300038
PNG
(CHEMBL568964 | N-Cyclopropyl-6,7-dimethoxy-2-(4-me...)
Show SMILES COc1cc2nc(nc(NC3CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C19H27N5O2/c1-23-7-4-8-24(10-9-23)19-21-15-12-17(26-3)16(25-2)11-14(15)18(22-19)20-13-5-6-13/h11-13H,4-10H2,1-3H3,(H,20,21,22)
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n/an/a 5.10E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323811
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(4-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCC(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H44N6O2/c1-20(2)8-6-17-35-25-19-23-22(18-24(25)34-5)26(28-21-9-13-32(4)14-10-21)30-27(29-23)33-12-7-11-31(3)15-16-33/h18-21H,6-17H2,1-5H3,(H,28,29,30)
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n/an/a 5.20E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300039
PNG
(CHEMBL570799 | N-Isopropyl-6,7-dimethoxy-2-(4-meth...)
Show SMILES COc1cc2nc(nc(NC(C)C)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C19H29N5O2/c1-13(2)20-18-14-11-16(25-4)17(26-5)12-15(14)21-19(22-18)24-8-6-7-23(3)9-10-24/h11-13H,6-10H2,1-5H3,(H,20,21,22)
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n/an/a 5.80E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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 6.50E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300040
PNG
(2-chloro-6,7-dimethoxy-N-(1-methylpiperidin-4-yl)q...)
Show SMILES COc1cc2nc(Cl)nc(NC3CCN(C)CC3)c2cc1OC
Show InChI InChI=1S/C16H21ClN4O2/c1-21-6-4-10(5-7-21)18-15-11-8-13(22-2)14(23-3)9-12(11)19-16(17)20-15/h8-10H,4-7H2,1-3H3,(H,18,19,20)
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n/an/a 9.10E+6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323819
PNG
(6,7-Dimethoxy-N-methyl-2-(4-methyl-1,4-diazepan-1-...)
Show SMILES CNc1nc(nc2cc(OC)c(OC)cc12)N1CCCN(C)CC1
Show InChI InChI=1S/C17H25N5O2/c1-18-16-12-10-14(23-3)15(24-4)11-13(12)19-17(20-16)22-7-5-6-21(2)8-9-22/h10-11H,5-9H2,1-4H3,(H,18,19,20)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323822
PNG
(5-(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(1-m...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCC(N)=O)N1CCCN(C)CC1
Show InChI InChI=1S/C26H41N7O3/c1-31-10-6-11-33(15-14-31)26-29-21-18-23(36-16-5-4-7-24(27)34)22(35-3)17-20(21)25(30-26)28-19-8-12-32(2)13-9-19/h17-19H,4-16H2,1-3H3,(H2,27,34)(H,28,29,30)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300037
PNG
(CHEMBL568963 | N-Cyclohexyl-6,7-dimethoxy-2-(4-met...)
Show SMILES COc1cc2nc(nc(NC3CCCCC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H33N5O2/c1-26-10-7-11-27(13-12-26)22-24-18-15-20(29-3)19(28-2)14-17(18)21(25-22)23-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3,(H,23,24,25)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323818
PNG
(6,7-Dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(1-...)
Show SMILES COc1cc2nc(nc(OC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H33N5O3/c1-25-8-5-9-27(13-12-25)22-23-18-15-20(29-4)19(28-3)14-17(18)21(24-22)30-16-6-10-26(2)11-7-16/h14-16H,5-13H2,1-4H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300036
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(te...)
Show SMILES COc1cc2nc(nc(NC3CCOCC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-25-7-4-8-26(10-9-25)21-23-17-14-19(28-3)18(27-2)13-16(17)20(24-21)22-15-5-11-29-12-6-15/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323817
PNG
(6,7-Dimethoxy-N-methyl-2-(4-methyl-1,4-diazepan-1-...)
Show SMILES COc1cc2nc(nc(N(C)C3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C23H36N6O2/c1-26-9-6-10-29(14-13-26)23-24-19-16-21(31-5)20(30-4)15-18(19)22(25-23)28(3)17-7-11-27(2)12-8-17/h15-17H,6-14H2,1-5H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300035
PNG
(6,7-Dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(pi...)
Show SMILES COc1cc2nc(nc(NC3CCNCC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-26-9-4-10-27(12-11-26)21-24-17-14-19(29-3)18(28-2)13-16(17)20(25-21)23-15-5-7-22-8-6-15/h13-15,22H,4-12H2,1-3H3,(H,23,24,25)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323821
PNG
(CHEMBL1214014 | tert-Butyl 4-(6-Methoxy-2-(4-methy...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCNC(=O)OC(C)(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C30H49N7O4/c1-30(2,3)41-29(38)31-12-7-8-19-40-26-21-24-23(20-25(26)39-6)27(32-22-10-15-36(5)16-11-22)34-28(33-24)37-14-9-13-35(4)17-18-37/h20-22H,7-19H2,1-6H3,(H,31,38)(H,32,33,34)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323820
PNG
(6-Methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diaz...)
Show SMILES COCCCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C26H42N6O3/c1-30-10-7-11-32(15-14-30)26-28-22-19-24(35-17-6-5-16-33-3)23(34-4)18-21(22)25(29-26)27-20-8-12-31(2)13-9-20/h18-20H,5-17H2,1-4H3,(H,27,28,29)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323804
PNG
(7-(6-(Dimethylamino)ethoxy)-6-methoxy-2-(4-methyl-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C29H49N7O2/c1-33(2)13-8-6-7-9-20-38-27-22-25-24(21-26(27)37-5)28(30-23-11-16-35(4)17-12-23)32-29(31-25)36-15-10-14-34(3)18-19-36/h21-23H,6-20H2,1-5H3,(H,30,31,32)
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n/an/a 1.51E+7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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/an/a 130n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to G9a by isothermal titration colorimetry


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(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/an/a 23n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to G9a by isothermal titration colorimetry


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%