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PubMed code 19891491

Compile data set for download or QSAR
Found 26 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
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 0.110n/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
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 0.200n/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
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 0.230n/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
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 0.290n/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
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 0.330n/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
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 0.510n/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
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 0.550n/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
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 0.680n/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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 0.810n/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
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 0.900n/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
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 0.910n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
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 1.10n/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
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 1.60n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
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 1.70n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
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 5.10n/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
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
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 6.5n/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
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 9.10n/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
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>10n/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
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>10n/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
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>10n/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
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 15n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
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 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
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

Curated by ChEMBL


Assay Description
Inhibition of GLP by Alpha screen assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to G9a by isothermal titration calorimetry


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%