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55 molecules are shown

Compile data set for download or QSAR
Wt: 359.4
BDBM50300039
Wt: 400.5
BDBM50323800
Wt: 471.6
BDBM50323801
Wt: 499.6
BDBM50323802
Wt: 513.7
BDBM50323803
Wt: 527.7
BDBM50323804
Wt: 471.6
BDBM50323805
Wt: 513.7
BDBM50323806
Wt: 513.7
BDBM50323807
Wt: 511.7
BDBM50323808
Wt: 525.7
BDBM50323809
Wt: 527.7
BDBM50323810
Wt: 484.6
BDBM50323811
Wt: 485.6
BDBM50323812
Wt: 515.6
BDBM50323813
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50300039,50323800,50323801,50323802,50323803,50323804,50323805,50323806,50323807,50323808,50323809,50323810,50323811,50323812,50323813   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein G9a (G9a)


(Homo sapiens (Human))
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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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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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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 1.10E+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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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 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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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 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)
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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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 PRMT3 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
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)
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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 910n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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
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 9n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a 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
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 8n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a 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
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 5.80n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen 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
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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 4.10E+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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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 2.00E+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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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 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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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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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 SET7/9 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
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 1.10E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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
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 2.20E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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
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 25n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a 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
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
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair